[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109249992

IUPAC[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C)cc(Nc2ncc(C(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C18H22N4O/c1-13-8-14(2)10-16(9-13)21-18-19-11-15(12-20-18)17(23)22-6-4-3-5-7-22/h8-12H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyZRZCIFHEGKVEHF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.46
Rot. Bonds3

About [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249992) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249992
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C)cc(Nc2ncc(C(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C18H22N4O/c1-13-8-14(2)10-16(9-13)21-18-19-11-15(12-20-18)17(23)22-6-4-3-5-7-22/h8-12H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyZRZCIFHEGKVEHF-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

[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
[2-(3-bromo-4-methylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249324
azepan-1-yl-[2-(3-bromoanilino)pyrimidin-5-yl]methanone
CID 109264922
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250070
[2-(3,4-difluoroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250086
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249992) is [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is Cc1cc(C)cc(Nc2ncc(C(=O)N3CCCCC3)cn2)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ZRZCIFHEGKVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-8-14(2)10-16(9-13)21-18-19-11-15(12-20-18)17(23)22-6-4-3-5-7-22/h8-12H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(3,5-dimethylanilino)pyrimidin-5-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 [2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).