[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109334024

IUPAC[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)c1
InChIInChI=1S/C19H24N4O/c1-13-6-4-8-16(10-13)21-19-20-15(3)11-17(22-19)18(24)23-9-5-7-14(2)12-23/h4,6,8,10-11,14H,5,7,9,12H2,1-3H3,(H,20,21,22)
InChIKeyAKPANHXXXZCJDQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.71
Rot. Bonds3

About [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109334024) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109334024
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)c1
InChIInChI=1S/C19H24N4O/c1-13-6-4-8-16(10-13)21-19-20-15(3)11-17(22-19)18(24)23-9-5-7-14(2)12-23/h4,6,8,10-11,14H,5,7,9,12H2,1-3H3,(H,20,21,22)
InChIKeyAKPANHXXXZCJDQ-UHFFFAOYSA-N
XLogP3.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.71
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
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334057
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334056
[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
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109330133
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299212

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109334024) is [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cccc(Nc2nc(C)cc(C(=O)N3CCCC(C)C3)n2)c1.
What is the InChIKey of [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is AKPANHXXXZCJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-6-4-8-16(10-13)21-19-20-15(3)11-17(22-19)18(24)23-9-5-7-14(2)12-23/h4,6,8,10-11,14H,5,7,9,12H2,1-3H3,(H,20,21,22).
What are the key properties of [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109334024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).