4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide

C10H13N3O2 — CID 91388837

IUPAC4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)CCCCC2
InChIInChI=1S/C10H13N3O2/c11-10(15)7-6-9(14)13-5-3-1-2-4-8(13)12-7/h6H,1-5H2,(H2,11,15)
InChIKeySUXGGYLSUSYUEJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.07
Rot. Bonds1

About 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide

4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide (PubChem CID 91388837) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
PubChem CID91388837
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
SMILESNC(=O)c1cc(=O)n2c(n1)CCCCC2
InChIInChI=1S/C10H13N3O2/c11-10(15)7-6-9(14)13-5-3-1-2-4-8(13)12-7/h6H,1-5H2,(H2,11,15)
InChIKeySUXGGYLSUSYUEJ-UHFFFAOYSA-N
XLogP0.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4,6,7,8,9,10-Hexahydropyrimido[1,2-a]azepine-2-carboxamide
CID 67377057
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxamide
CID 89156562
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 90891041
N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide
CID 68640943
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 68640947
(2E)-2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 133678283
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one;hydrate
CID 134116242
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide?
The IUPAC name of 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide (CID 91388837) is 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide.
What is the SMILES notation for 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide?
The canonical SMILES for 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide is NC(=O)c1cc(=O)n2c(n1)CCCCC2.
What is the InChIKey of 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide?
The InChIKey is SUXGGYLSUSYUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(15)7-6-9(14)13-5-3-1-2-4-8(13)12-7/h6H,1-5H2,(H2,11,15).
What are the key properties of 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide?
4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide is sourced from PubChem (CID 91388837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).