2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine

C20H26ClN5 — CID 112909661

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCC2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H26ClN5/c1-15-13-19(23-17-6-2-3-7-17)24-20(22-15)26-11-9-25(10-12-26)18-8-4-5-16(21)14-18/h4-5,8,13-14,17H,2-3,6-7,9-12H2,1H3,(H,22,23,24)
InChIKeyWFVIYEYFCZOWTA-UHFFFAOYSA-N
MW371.92 g/mol
LogP4.12
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine (PubChem CID 112909661) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
PubChem CID112909661
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCC2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H26ClN5/c1-15-13-19(23-17-6-2-3-7-17)24-20(22-15)26-11-9-25(10-12-26)18-8-4-5-16(21)14-18/h4-5,8,13-14,17H,2-3,6-7,9-12H2,1H3,(H,22,23,24)
InChIKeyWFVIYEYFCZOWTA-UHFFFAOYSA-N
XLogP4.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-1,2,4-triazin-5-amine
CID 112939151
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 112908525
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8546599
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine (CID 112909661) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCC2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine?
The InChIKey is WFVIYEYFCZOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5/c1-15-13-19(23-17-6-2-3-7-17)24-20(22-15)26-11-9-25(10-12-26)18-8-4-5-16(21)14-18/h4-5,8,13-14,17H,2-3,6-7,9-12H2,1H3,(H,22,23,24).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine has a molecular weight of 371.92 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112909661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).