[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone

C20H23N7O — CID 119072061

IUPAC[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccc(-c4nccn4C)cc3)CC2)nc(N)n1
InChIInChI=1S/C20H23N7O/c1-14-13-17(24-20(21)23-14)26-9-11-27(12-10-26)19(28)16-5-3-15(4-6-16)18-22-7-8-25(18)2/h3-8,13H,9-12H2,1-2H3,(H2,21,23,24)
InChIKeyWMYGBJVLGMZSFH-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.73
Rot. Bonds3

About [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone (PubChem CID 119072061) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
PubChem CID119072061
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccc(-c4nccn4C)cc3)CC2)nc(N)n1
InChIInChI=1S/C20H23N7O/c1-14-13-17(24-20(21)23-14)26-9-11-27(12-10-26)19(28)16-5-3-15(4-6-16)18-22-7-8-25(18)2/h3-8,13H,9-12H2,1-2H3,(H2,21,23,24)
InChIKeyWMYGBJVLGMZSFH-UHFFFAOYSA-N
XLogP1.73
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]methanone
CID 169412739
4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 50963218
(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 125163629
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348327
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 118765034
[4-(2-amino-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(1-benzothiophen-2-yl)methanone
CID 138381259
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
(4-fluorophenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047613

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone (CID 119072061) is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone is Cc1cc(N2CCN(C(=O)c3ccc(-c4nccn4C)cc3)CC2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone?
The InChIKey is WMYGBJVLGMZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14-13-17(24-20(21)23-14)26-9-11-27(12-10-26)19(28)16-5-3-15(4-6-16)18-22-7-8-25(18)2/h3-8,13H,9-12H2,1-2H3,(H2,21,23,24).
What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone?
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 119072061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).