[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C15H23N5O — CID 109297855

IUPAC[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C15H23N5O/c1-19-8-10-20(11-9-19)14(21)13-6-7-16-15(18-13)17-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H,16,17,18)
InChIKeyCWMAVQHZHRCEGK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds3

About [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109297855) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109297855
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C15H23N5O/c1-19-8-10-20(11-9-19)14(21)13-6-7-16-15(18-13)17-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H,16,17,18)
InChIKeyCWMAVQHZHRCEGK-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-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

[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901
[2-(4-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302300
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302550
[2-(2-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302335
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109302322
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109297855) is [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccnc(NC3CCCC3)n2)CC1.
What is the InChIKey of [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CWMAVQHZHRCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-8-10-20(11-9-19)14(21)13-6-7-16-15(18-13)17-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H,16,17,18).
What are the key properties of [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109297855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).