[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C18H22ClN5O — CID 109367102

IUPAC[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C18H22ClN5O/c1-12-4-5-14(10-15(12)19)22-17-11-16(20-13(2)21-17)18(25)24-8-6-23(3)7-9-24/h4-5,10-11H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyHSYCGWXRQDLUFR-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.88
Rot. Bonds3

About [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109367102) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109367102
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C18H22ClN5O/c1-12-4-5-14(10-15(12)19)22-17-11-16(20-13(2)21-17)18(25)24-8-6-23(3)7-9-24/h4-5,10-11H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyHSYCGWXRQDLUFR-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone 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

[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367079
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367110
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848726
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
1-[4-[2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367873
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
1-[4-[[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878137
(4-methylpiperazin-1-yl)-[2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109367119
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109367102) is [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HSYCGWXRQDLUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-12-4-5-14(10-15(12)19)22-17-11-16(20-13(2)21-17)18(25)24-8-6-23(3)7-9-24/h4-5,10-11H,6-9H2,1-3H3,(H,20,21,22).
What are the key properties of [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109367102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).