4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine

C9H11N5 — CID 118976146

IUPAC4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(Cc2ncccn2)c1N
InChIInChI=1S/C9H11N5/c1-7-5-13-14(9(7)10)6-8-11-3-2-4-12-8/h2-5H,6,10H2,1H3
InChIKeyADXHZSUPXPJHMJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.61
Rot. Bonds2

About 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine

4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine (PubChem CID 118976146) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine
PubChem CID118976146
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(Cc2ncccn2)c1N
InChIInChI=1S/C9H11N5/c1-7-5-13-14(9(7)10)6-8-11-3-2-4-12-8/h2-5H,6,10H2,1H3
InChIKeyADXHZSUPXPJHMJ-UHFFFAOYSA-N
XLogP0.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine (CID 118976146) is 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine is Cc1cnn(Cc2ncccn2)c1N.
What is the InChIKey of 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine?
The InChIKey is ADXHZSUPXPJHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-5-13-14(9(7)10)6-8-11-3-2-4-12-8/h2-5H,6,10H2,1H3.
What are the key properties of 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine?
4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 118976146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).