[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone

C23H30ClN5O — CID 122346119

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCNc1cc(C)nc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1
InChIInChI=1S/C23H30ClN5O/c1-3-25-20-16-17(2)26-22(27-20)29-14-12-28(13-15-29)21(30)23(10-4-5-11-23)18-6-8-19(24)9-7-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,25,26,27)
InChIKeyHRDBZQUICGAMEM-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.03
Rot. Bonds5

About [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 122346119) has the molecular formula C23H30ClN5O and a molecular weight of 427.98 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID122346119
Molecular FormulaC23H30ClN5O
Molecular Weight427.98 g/mol
Exact Mass427.21
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCNc1cc(C)nc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1
InChIInChI=1S/C23H30ClN5O/c1-3-25-20-16-17(2)26-22(27-20)29-14-12-28(13-15-29)21(30)23(10-4-5-11-23)18-6-8-19(24)9-7-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,25,26,27)
InChIKeyHRDBZQUICGAMEM-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
1-[4-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914975
1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122352808
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566483
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 121031730
(2-chloro-4-nitrophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031743
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122346193
(3-bromophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566462
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122346111
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340265
1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122356582

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone (CID 122346119) is [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone is CCNc1cc(C)nc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is HRDBZQUICGAMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O/c1-3-25-20-16-17(2)26-22(27-20)29-14-12-28(13-15-29)21(30)23(10-4-5-11-23)18-6-8-19(24)9-7-18/h6-9,16H,3-5,10-15H2,1-2H3,(H,25,26,27).
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 427.98 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122346119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).