[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone

C26H30ClN7O — CID 70671407

IUPAC[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCc1nc(N)nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(Cl)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C26H30ClN7O/c1-16-23(18-7-9-22(28)30-15-18)24(32-26(29)31-16)17-6-8-20(21(27)14-17)25(35)34-12-10-33(11-13-34)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H2,28,30)(H2,29,31,32)
InChIKeyAMYMBVFQDQTNCU-UHFFFAOYSA-N
MW492.03 g/mol
LogP4.03
Rot. Bonds4

About [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone

[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 70671407) has the molecular formula C26H30ClN7O and a molecular weight of 492.03 g/mol. Its IUPAC name is [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID70671407
Molecular FormulaC26H30ClN7O
Molecular Weight492.03 g/mol
Exact Mass491.22
IUPAC Name[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESCc1nc(N)nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(Cl)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C26H30ClN7O/c1-16-23(18-7-9-22(28)30-15-18)24(32-26(29)31-16)17-6-8-20(21(27)14-17)25(35)34-12-10-33(11-13-34)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H2,28,30)(H2,29,31,32)
InChIKeyAMYMBVFQDQTNCU-UHFFFAOYSA-N
XLogP4.03
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.03
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 70671769
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 58235229
4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 121486584
4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 70671539
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993357
1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide
CID 70671671
2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671603
2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671897
[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584860

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 70671407) is [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone is Cc1nc(N)nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(Cl)c2)c1-c1ccc(N)nc1.
What is the InChIKey of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is AMYMBVFQDQTNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O/c1-16-23(18-7-9-22(28)30-15-18)24(32-26(29)31-16)17-6-8-20(21(27)14-17)25(35)34-12-10-33(11-13-34)19-4-2-3-5-19/h6-9,14-15,19H,2-5,10-13H2,1H3,(H2,28,30)(H2,29,31,32).
What are the key properties of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone?
[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 492.03 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 70671407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).