2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one

C19H27N5O2 — CID 91909054

IUPAC2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
SMILESCN1CCCN(C(=O)CN2CCCc3nc(C4CC4)ncc3C2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-22-7-3-9-23(11-10-22)17(25)13-24-8-2-4-16-15(19(24)26)12-20-18(21-16)14-5-6-14/h12,14H,2-11,13H2,1H3
InChIKeyZVNPSOBKZWYPSQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.91
Rot. Bonds3

About 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one

2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one (PubChem CID 91909054) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
PubChem CID91909054
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
SMILESCN1CCCN(C(=O)CN2CCCc3nc(C4CC4)ncc3C2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-22-7-3-9-23(11-10-22)17(25)13-24-8-2-4-16-15(19(24)26)12-20-18(21-16)14-5-6-14/h12,14H,2-11,13H2,1H3
InChIKeyZVNPSOBKZWYPSQ-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 91909057
2-(4-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62008663
3,3-dimethyl-1-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92552165
1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110241198
4-(azepan-1-yl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92607989
2-cyclohexyl-1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 95850669
2-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 104501276
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-quinolin-3-yltriazol-1-yl)ethanone
CID 167985003
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
1-[2-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92617363
5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 10591516
tert-butyl 2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86767357

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
The IUPAC name of 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one (CID 91909054) is 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one.
What is the SMILES notation for 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
The canonical SMILES for 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one is CN1CCCN(C(=O)CN2CCCc3nc(C4CC4)ncc3C2=O)CC1.
What is the InChIKey of 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
The InChIKey is ZVNPSOBKZWYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22-7-3-9-23(11-10-22)17(25)13-24-8-2-4-16-15(19(24)26)12-20-18(21-16)14-5-6-14/h12,14H,2-11,13H2,1H3.
What are the key properties of 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one?
2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one has a molecular weight of 357.46 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one is sourced from PubChem (CID 91909054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).