3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

C19H21N5O2 — CID 126949440

IUPAC3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1c(CN2CCCC2c2nc3ccccc3c(=O)n2C)nccc1=O
InChIInChI=1S/C19H21N5O2/c1-22-16(20-10-9-17(22)25)12-24-11-5-8-15(24)18-21-14-7-4-3-6-13(14)19(26)23(18)2/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3
InChIKeyJUJMMKQDXJAVDC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.36
Rot. Bonds3

About 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949440) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949440
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1c(CN2CCCC2c2nc3ccccc3c(=O)n2C)nccc1=O
InChIInChI=1S/C19H21N5O2/c1-22-16(20-10-9-17(22)25)12-24-11-5-8-15(24)18-21-14-7-4-3-6-13(14)19(26)23(18)2/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3
InChIKeyJUJMMKQDXJAVDC-UHFFFAOYSA-N
XLogP1.36
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(cyclopropylmethyl)-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949759
3-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438
2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209538
3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949500
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949519
3-methyl-2-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949480
3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949612
3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949508
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949440) is 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cn1c(CN2CCCC2c2nc3ccccc3c(=O)n2C)nccc1=O.
What is the InChIKey of 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is JUJMMKQDXJAVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22-16(20-10-9-17(22)25)12-24-11-5-8-15(24)18-21-14-7-4-3-6-13(14)19(26)23(18)2/h3-4,6-7,9-10,15H,5,8,11-12H2,1-2H3.
What are the key properties of 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).