[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109341636

IUPAC[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccccc1CNc1cc(C(=O)N2CCCCC2)ncn1
InChIInChI=1S/C18H22N4O/c1-14-7-3-4-8-15(14)12-19-17-11-16(20-13-21-17)18(23)22-9-5-2-6-10-22/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,20,21)
InChIKeyNMZPEMMHFDXLHB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds4

About [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109341636) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109341636
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccccc1CNc1cc(C(=O)N2CCCCC2)ncn1
InChIInChI=1S/C18H22N4O/c1-14-7-3-4-8-15(14)12-19-17-11-16(20-13-21-17)18(23)22-9-5-2-6-10-22/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,20,21)
InChIKeyNMZPEMMHFDXLHB-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[(2-methylphenyl)methylamino]pyrimidin-4-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

ethyl 4-[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109346806
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109348047
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
(4-ethylpiperazin-1-yl)-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109367302
[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708
ethyl 4-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368526

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109341636) is [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1ccccc1CNc1cc(C(=O)N2CCCCC2)ncn1.
What is the InChIKey of [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NMZPEMMHFDXLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-7-3-4-8-15(14)12-19-17-11-16(20-13-21-17)18(23)22-9-5-2-6-10-22/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,20,21).
What are the key properties of [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109341636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).