9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

C15H24N6O — CID 134790313

IUPAC9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCC(C)Nc1ncnc2c1CN(C1CCNC1)C(=O)CN2C
InChIInChI=1S/C15H24N6O/c1-10(2)19-14-12-7-21(11-4-5-16-6-11)13(22)8-20(3)15(12)18-9-17-14/h9-11,16H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyWXZZGLIAOWCXDQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.44
Rot. Bonds3

About 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one

9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (PubChem CID 134790313) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
PubChem CID134790313
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
SMILESCC(C)Nc1ncnc2c1CN(C1CCNC1)C(=O)CN2C
InChIInChI=1S/C15H24N6O/c1-10(2)19-14-12-7-21(11-4-5-16-6-11)13(22)8-20(3)15(12)18-9-17-14/h9-11,16H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyWXZZGLIAOWCXDQ-UHFFFAOYSA-N
XLogP0.44
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The IUPAC name of 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one (CID 134790313) is 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one.
What is the SMILES notation for 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The canonical SMILES for 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is CC(C)Nc1ncnc2c1CN(C1CCNC1)C(=O)CN2C.
What is the InChIKey of 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
The InChIKey is WXZZGLIAOWCXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-10(2)19-14-12-7-21(11-4-5-16-6-11)13(22)8-20(3)15(12)18-9-17-14/h9-11,16H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one?
9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one has a molecular weight of 304.40 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(propan-2-ylamino)-6-pyrrolidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one is sourced from PubChem (CID 134790313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).