2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one

C15H20N4O2 — CID 110196358

IUPAC2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
SMILESCc1ncc2c(n1)CCCN(CC(=O)N1CCCC1)C2=O
InChIInChI=1S/C15H20N4O2/c1-11-16-9-12-13(17-11)5-4-8-19(15(12)21)10-14(20)18-6-2-3-7-18/h9H,2-8,10H2,1H3
InChIKeyDOEBVQRVAQJVGC-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.80
Rot. Bonds2

About 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one

2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one (PubChem CID 110196358) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one.

Molecular Properties

Compound Name2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
PubChem CID110196358
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
SMILESCc1ncc2c(n1)CCCN(CC(=O)N1CCCC1)C2=O
InChIInChI=1S/C15H20N4O2/c1-11-16-9-12-13(17-11)5-4-8-19(15(12)21)10-14(20)18-6-2-3-7-18/h9H,2-8,10H2,1H3
InChIKeyDOEBVQRVAQJVGC-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
The IUPAC name of 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one (CID 110196358) is 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one.
What is the SMILES notation for 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
The canonical SMILES for 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one is Cc1ncc2c(n1)CCCN(CC(=O)N1CCCC1)C2=O.
What is the InChIKey of 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
The InChIKey is DOEBVQRVAQJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-16-9-12-13(17-11)5-4-8-19(15(12)21)10-14(20)18-6-2-3-7-18/h9H,2-8,10H2,1H3.
What are the key properties of 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one has a molecular weight of 288.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one is sourced from PubChem (CID 110196358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).