4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

C15H20N4OS — CID 137178662

IUPAC4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2(C)CCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C15H20N4OS/c1-10-7-13(20)18-14(16-10)15(3)5-4-6-19(15)8-12-9-21-11(2)17-12/h7,9H,4-6,8H2,1-3H3,(H,16,18,20)
InChIKeyPMRZGAZBTWRUIU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.35
Rot. Bonds3

About 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137178662) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID137178662
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2(C)CCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C15H20N4OS/c1-10-7-13(20)18-14(16-10)15(3)5-4-6-19(15)8-12-9-21-11(2)17-12/h7,9H,4-6,8H2,1-3H3,(H,16,18,20)
InChIKeyPMRZGAZBTWRUIU-UHFFFAOYSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-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

2-[2-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]acetamide
CID 137178661
2-[(2S)-1-(2-fluorobenzoyl)-2-methylpyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137037907
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155834789
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776926
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112599943
(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155879286
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373386
7-ethylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131657994
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64966350

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 137178662) is 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2(C)CCCN2Cc2csc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is PMRZGAZBTWRUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-7-13(20)18-14(16-10)15(3)5-4-6-19(15)8-12-9-21-11(2)17-12/h7,9H,4-6,8H2,1-3H3,(H,16,18,20).
What are the key properties of 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 304.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137178662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).