[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109342403

IUPAC[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)ncn2)cc1C
InChIInChI=1S/C19H24N4O/c1-13-6-8-23(9-7-13)19(24)17-11-18(21-12-20-17)22-16-5-4-14(2)15(3)10-16/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyJOBMVEFEYRFPGM-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.71
Rot. Bonds3

About [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109342403) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109342403
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)ncn2)cc1C
InChIInChI=1S/C19H24N4O/c1-13-6-8-23(9-7-13)19(24)17-11-18(21-12-20-17)22-16-5-4-14(2)15(3)10-16/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22)
InChIKeyJOBMVEFEYRFPGM-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

[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342470
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154
(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
CID 109338249
methyl 2-[[6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109342450
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759
[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367079

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109342403) is [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)ncn2)cc1C.
What is the InChIKey of [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JOBMVEFEYRFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-6-8-23(9-7-13)19(24)17-11-18(21-12-20-17)22-16-5-4-14(2)15(3)10-16/h4-5,10-13H,6-9H2,1-3H3,(H,20,21,22).
What are the key properties of [6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-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-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109342403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).