1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine

C9H11N5 — CID 91581110

IUPAC1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine
SMILESCc1nccc(-c2cc(N)n(C)n2)n1
InChIInChI=1S/C9H11N5/c1-6-11-4-3-7(12-6)8-5-9(10)14(2)13-8/h3-5H,10H2,1-2H3
InChIKeyFAEUGPOGYSDWPT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.77
Rot. Bonds1

About 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine

1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine (PubChem CID 91581110) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine
PubChem CID91581110
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine
SMILESCc1nccc(-c2cc(N)n(C)n2)n1
InChIInChI=1S/C9H11N5/c1-6-11-4-3-7(12-6)8-5-9(10)14(2)13-8/h3-5H,10H2,1-2H3
InChIKeyFAEUGPOGYSDWPT-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine (CID 91581110) is 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine is Cc1nccc(-c2cc(N)n(C)n2)n1.
What is the InChIKey of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine?
The InChIKey is FAEUGPOGYSDWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-11-4-3-7(12-6)8-5-9(10)14(2)13-8/h3-5H,10H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine?
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpyrimidin-4-yl)pyrazol-5-amine is sourced from PubChem (CID 91581110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).