2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide

C10H13N3O2 — CID 13066359

IUPAC2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
SMILESNC(=O)c1cn2c(nc1=O)CCCCC2
InChIInChI=1S/C10H13N3O2/c11-9(14)7-6-13-5-3-1-2-4-8(13)12-10(7)15/h6H,1-5H2,(H2,11,14)
InChIKeyKDJHEJZLDBVCRT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.07
Rot. Bonds1

About 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide

2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide (PubChem CID 13066359) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
PubChem CID13066359
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide
SMILESNC(=O)c1cn2c(nc1=O)CCCCC2
InChIInChI=1S/C10H13N3O2/c11-9(14)7-6-13-5-3-1-2-4-8(13)12-10(7)15/h6H,1-5H2,(H2,11,14)
InChIKeyKDJHEJZLDBVCRT-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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Frequently Asked Questions

What is the IUPAC name of 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide?
The IUPAC name of 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide (CID 13066359) is 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide.
What is the SMILES notation for 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide?
The canonical SMILES for 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide is NC(=O)c1cn2c(nc1=O)CCCCC2.
What is the InChIKey of 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide?
The InChIKey is KDJHEJZLDBVCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9(14)7-6-13-5-3-1-2-4-8(13)12-10(7)15/h6H,1-5H2,(H2,11,14).
What are the key properties of 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide?
2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-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 2-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carboxamide is sourced from PubChem (CID 13066359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).