[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C20H25ClN4O — CID 109334056

IUPAC[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)c(Cl)c1
InChIInChI=1S/C20H25ClN4O/c1-12-6-5-7-25(11-12)19(26)17-10-15(4)22-20(23-17)24-18-14(3)8-13(2)9-16(18)21/h8-10,12H,5-7,11H2,1-4H3,(H,22,23,24)
InChIKeyZXCZIGLSXHKHSF-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.67
Rot. Bonds3

About [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109334056) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109334056
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)c(Cl)c1
InChIInChI=1S/C20H25ClN4O/c1-12-6-5-7-25(11-12)19(26)17-10-15(4)22-20(23-17)24-18-14(3)8-13(2)9-16(18)21/h8-10,12H,5-7,11H2,1-4H3,(H,22,23,24)
InChIKeyZXCZIGLSXHKHSF-UHFFFAOYSA-N
XLogP4.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334053
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334057
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
1-[4-[6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326719
[2-(2,6-dichloroanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321897
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109330133

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109334056) is [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C)c(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZXCZIGLSXHKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-12-6-5-7-25(11-12)19(26)17-10-15(4)22-20(23-17)24-18-14(3)8-13(2)9-16(18)21/h8-10,12H,5-7,11H2,1-4H3,(H,22,23,24).
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109334056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).