[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C22H29N5O — CID 109297901

IUPAC[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(NC4CCCC4)n3)CC2)c1C
InChIInChI=1S/C22H29N5O/c1-16-6-5-9-20(17(16)2)26-12-14-27(15-13-26)21(28)19-10-11-23-22(25-19)24-18-7-3-4-8-18/h5-6,9-11,18H,3-4,7-8,12-15H2,1-2H3,(H,23,24,25)
InChIKeyLCELAUJRIFDVSM-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.41
Rot. Bonds4

About [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 109297901) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID109297901
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(NC4CCCC4)n3)CC2)c1C
InChIInChI=1S/C22H29N5O/c1-16-6-5-9-20(17(16)2)26-12-14-27(15-13-26)21(28)19-10-11-23-22(25-19)24-18-7-3-4-8-18/h5-6,9-11,18H,3-4,7-8,12-15H2,1-2H3,(H,23,24,25)
InChIKeyLCELAUJRIFDVSM-UHFFFAOYSA-N
XLogP3.41
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310408
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
CID 109310419
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 109297901) is [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccnc(NC4CCCC4)n3)CC2)c1C.
What is the InChIKey of [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is LCELAUJRIFDVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-6-5-9-20(17(16)2)26-12-14-27(15-13-26)21(28)19-10-11-23-22(25-19)24-18-7-3-4-8-18/h5-6,9-11,18H,3-4,7-8,12-15H2,1-2H3,(H,23,24,25).
What are the key properties of [2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 3.41, 4 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-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109297901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).