[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone

C21H26ClN5O — CID 109363118

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(NC2CCCC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C21H26ClN5O/c1-15-23-19(14-20(24-15)25-17-6-2-3-7-17)21(28)27-11-9-26(10-12-27)18-8-4-5-16(22)13-18/h4-5,8,13-14,17H,2-3,6-7,9-12H2,1H3,(H,23,24,25)
InChIKeyIDKZDOIDGGMNMA-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.76
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone (PubChem CID 109363118) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
PubChem CID109363118
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
SMILESCc1nc(NC2CCCC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C21H26ClN5O/c1-15-23-19(14-20(24-15)25-17-6-2-3-7-17)21(28)27-11-9-26(10-12-27)18-8-4-5-16(22)13-18/h4-5,8,13-14,17H,2-3,6-7,9-12H2,1H3,(H,23,24,25)
InChIKeyIDKZDOIDGGMNMA-UHFFFAOYSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109363064
[6-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363660
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone (CID 109363118) is [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone is Cc1nc(NC2CCCC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone?
The InChIKey is IDKZDOIDGGMNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-15-23-19(14-20(24-15)25-17-6-2-3-7-17)21(28)27-11-9-26(10-12-27)18-8-4-5-16(22)13-18/h4-5,8,13-14,17H,2-3,6-7,9-12H2,1H3,(H,23,24,25).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone has a molecular weight of 399.93 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109363118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).