[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C17H26N4O — CID 109363064

IUPAC[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(NC2CCCC2)cc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C17H26N4O/c1-12-7-9-21(10-8-12)17(22)15-11-16(19-13(2)18-15)20-14-5-3-4-6-14/h11-12,14H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyQBUVLLIJEBBFEH-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.01
Rot. Bonds3

About [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109363064) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109363064
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nc(NC2CCCC2)cc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C17H26N4O/c1-12-7-9-21(10-8-12)17(22)15-11-16(19-13(2)18-15)20-14-5-3-4-6-14/h11-12,14H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyQBUVLLIJEBBFEH-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone 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

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262
(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109362694
methyl 4-[[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109364378
1-[4-[[6-(3-hydroxypiperidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 165094046
[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364250
1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109364260
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109363064) is [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1nc(NC2CCCC2)cc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QBUVLLIJEBBFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-7-9-21(10-8-12)17(22)15-11-16(19-13(2)18-15)20-14-5-3-4-6-14/h11-12,14H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109363064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).