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

C22H24ClN7O — CID 70671769

IUPAC[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(N)nc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C22H24ClN7O/c1-13-19(15-4-6-18(24)26-12-15)20(28-22(25)27-13)14-3-5-16(17(23)11-14)21(31)30-9-7-29(2)8-10-30/h3-6,11-12H,7-10H2,1-2H3,(H2,24,26)(H2,25,27,28)
InChIKeyNDILFCYFRRSIKG-UHFFFAOYSA-N
MW437.94 g/mol
LogP2.72
Rot. Bonds3

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

[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 70671769) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID70671769
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC Name[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(N)nc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c1-c1ccc(N)nc1
InChIInChI=1S/C22H24ClN7O/c1-13-19(15-4-6-18(24)26-12-15)20(28-22(25)27-13)14-3-5-16(17(23)11-14)21(31)30-9-7-29(2)8-10-30/h3-6,11-12H,7-10H2,1-2H3,(H2,24,26)(H2,25,27,28)
InChIKeyNDILFCYFRRSIKG-UHFFFAOYSA-N
XLogP2.72
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 70671407
4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 70671539
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
methyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-chlorobenzoate
CID 70671388
[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 58235229
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(4-butylpiperazin-1-yl)methanone
CID 53353761
tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70671675
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chlorobenzoic acid
CID 58513553
[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 70671721
1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide
CID 70671671
(2-chloro-4-fluorophenyl)-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133469270
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 58072662

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone (CID 70671769) is [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone is Cc1nc(N)nc(-c2ccc(C(=O)N3CCN(C)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-methylpiperazin-1-yl)methanone?
The InChIKey is NDILFCYFRRSIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-13-19(15-4-6-18(24)26-12-15)20(28-22(25)27-13)14-3-5-16(17(23)11-14)21(31)30-9-7-29(2)8-10-30/h3-6,11-12H,7-10H2,1-2H3,(H2,24,26)(H2,25,27,28).
What are the key properties of [4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 437.94 g/mol, XLogP of 2.72, 3 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 70671769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).