1-(pyrimidin-2-yl)-1,4-diazepane

1-(pyrimidin-2-yl)-1,4-diazepane

CAS: 21279-57-2

Formula: C9H14N4

SMILES: C1CNCCN(C1)C1=NC=CC=N1

IUPAC: 1-(pyrimidin-2-yl)-1,4-diazepane

InChI: InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-2-3-10-6-8-13/h1,4-5,10H,2-3,6-8H2

Composition: C (60.65%), H (7.92%), N (31.43%)

Molar Mass: 178.239

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.121846467
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LZOGPVCTSDAYIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.72
Topological Polar Surface Area	41.05
Polarizability	19.68
Ring Count	2
Rotatable Bond Count	1

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