4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid

C12H15N5O2 — CID 107346082

IUPAC4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(C)C)nc(-n2cc(N)c(C(=O)O)n2)n1
InChIInChI=1S/C12H15N5O2/c1-6(2)9-4-7(3)14-12(15-9)17-5-8(13)10(16-17)11(18)19/h4-6H,13H2,1-3H3,(H,18,19)
InChIKeyIMAPXPSURKSSNA-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid

4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid (PubChem CID 107346082) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid
PubChem CID107346082
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(C)C)nc(-n2cc(N)c(C(=O)O)n2)n1
InChIInChI=1S/C12H15N5O2/c1-6(2)9-4-7(3)14-12(15-9)17-5-8(13)10(16-17)11(18)19/h4-6H,13H2,1-3H3,(H,18,19)
InChIKeyIMAPXPSURKSSNA-UHFFFAOYSA-N
XLogP1.37
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid (CID 107346082) is 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid is Cc1cc(C(C)C)nc(-n2cc(N)c(C(=O)O)n2)n1.
What is the InChIKey of 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is IMAPXPSURKSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-6(2)9-4-7(3)14-12(15-9)17-5-8(13)10(16-17)11(18)19/h4-6H,13H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 107346082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).