4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide

C10H15N3O — CID 67377057

IUPAC4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide
SMILESNC(=O)C1=CCN2CCCCCC2=N1
InChIInChI=1S/C10H15N3O/c11-10(14)8-5-7-13-6-3-1-2-4-9(13)12-8/h5H,1-4,6-7H2,(H2,11,14)
InChIKeyZVVLQJWIZUHFGY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.64
Rot. Bonds1

About 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide

4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide (PubChem CID 67377057) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide.

Molecular Properties

Compound Name4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide
PubChem CID67377057
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide
SMILESNC(=O)C1=CCN2CCCCCC2=N1
InChIInChI=1S/C10H15N3O/c11-10(14)8-5-7-13-6-3-1-2-4-9(13)12-8/h5H,1-4,6-7H2,(H2,11,14)
InChIKeyZVVLQJWIZUHFGY-UHFFFAOYSA-N
XLogP0.64
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6H)-one
CID 718922
2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 130893152
4,6,7,8,9,10-Hexahydropyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 67377056
4,6,7,8-Tetrahydropyrrolo[1,2-a]pyrimidine-2-carboxamide
CID 89156341
6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 89156379
4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 91388837
4,6,7,8,9,10-Hexahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 154212444
(2E)-2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 133678283

Frequently Asked Questions

What is the IUPAC name of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide?
The IUPAC name of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide (CID 67377057) is 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide.
What is the SMILES notation for 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide?
The canonical SMILES for 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide is NC(=O)C1=CCN2CCCCCC2=N1.
What is the InChIKey of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide?
The InChIKey is ZVVLQJWIZUHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-10(14)8-5-7-13-6-3-1-2-4-9(13)12-8/h5H,1-4,6-7H2,(H2,11,14).
What are the key properties of 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide?
4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-2-carboxamide is sourced from PubChem (CID 67377057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).