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

C17H20N4O — CID 109249984

IUPAC[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(Nc2ncc(C(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C17H20N4O/c1-13-6-5-7-15(10-13)20-17-18-11-14(12-19-17)16(22)21-8-3-2-4-9-21/h5-7,10-12H,2-4,8-9H2,1H3,(H,18,19,20)
InChIKeyDPRIZWLMJLALGM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.15
Rot. Bonds3

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

[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249984) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249984
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(Nc2ncc(C(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C17H20N4O/c1-13-6-5-7-15(10-13)20-17-18-11-14(12-19-17)16(22)21-8-3-2-4-9-21/h5-7,10-12H,2-4,8-9H2,1H3,(H,18,19,20)
InChIKeyDPRIZWLMJLALGM-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[2-(3-bromoanilino)pyrimidin-5-yl]methanone
CID 109264922
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
methyl 3-[[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109249344
[2-(3-bromo-4-methylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249324
[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
1-[4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254682
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250025
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249984) is [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is Cc1cccc(Nc2ncc(C(=O)N3CCCCC3)cn2)c1.
What is the InChIKey of [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is DPRIZWLMJLALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-6-5-7-15(10-13)20-17-18-11-14(12-19-17)16(22)21-8-3-2-4-9-21/h5-7,10-12H,2-4,8-9H2,1H3,(H,18,19,20).
What are the key properties of [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).