[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C18H27N7O — CID 50963218

IUPAC[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)nc(N)n1
InChIInChI=1S/C18H27N7O/c1-12(2)9-14-11-15(23(4)22-14)17(26)25-7-5-24(6-8-25)16-10-13(3)20-18(19)21-16/h10-12H,5-9H2,1-4H3,(H2,19,20,21)
InChIKeyJTAXUZBCKIWIBI-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.26
Rot. Bonds4

About [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 50963218) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID50963218
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)nc(N)n1
InChIInChI=1S/C18H27N7O/c1-12(2)9-14-11-15(23(4)22-14)17(26)25-7-5-24(6-8-25)16-10-13(3)20-18(19)21-16/h10-12H,5-9H2,1-4H3,(H2,19,20,21)
InChIKeyJTAXUZBCKIWIBI-UHFFFAOYSA-N
XLogP1.26
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
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CID 46957093
[(3S,4R)-3-amino-4-(2-hydroxyethyl)pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 133138619
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110105248
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 154839242
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 118776866
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66120304
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 119072061
(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 125163629
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 118765034
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 50963218) is [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is Cc1cc(N2CCN(C(=O)c3cc(CC(C)C)nn3C)CC2)nc(N)n1.
What is the InChIKey of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is JTAXUZBCKIWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-12(2)9-14-11-15(23(4)22-14)17(26)25-7-5-24(6-8-25)16-10-13(3)20-18(19)21-16/h10-12H,5-9H2,1-4H3,(H2,19,20,21).
What are the key properties of [4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 1.26, 4 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]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 50963218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).