[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109341708

IUPAC[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C18H22N4O/c1-13-6-7-15(14(2)10-13)21-17-11-16(19-12-20-17)18(23)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyYIFICNOKDFUVBG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.46
Rot. Bonds3

About [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341708) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341708
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2cc(C(=O)N3CCCCC3)ncn2)c(C)c1
InChIInChI=1S/C18H22N4O/c1-13-6-7-15(14(2)10-13)21-17-11-16(19-12-20-17)18(23)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyYIFICNOKDFUVBG-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072
azepan-1-yl-[6-(2-bromoanilino)pyrimidin-4-yl]methanone
CID 109355664
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
1-[4-[6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858448
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341708) is [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1ccc(Nc2cc(C(=O)N3CCCCC3)ncn2)c(C)c1.
What is the InChIKey of [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is YIFICNOKDFUVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-7-15(14(2)10-13)21-17-11-16(19-12-20-17)18(23)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).