2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid

C9H13N3O2 — CID 75488591

IUPAC2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
SMILESCC(C)Cc1nc(N)ncc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-5(2)3-7-6(8(13)14)4-11-9(10)12-7/h4-5H,3H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyLIXWZXMSNYQPQU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid

2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid (PubChem CID 75488591) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
PubChem CID75488591
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
SMILESCC(C)Cc1nc(N)ncc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-5(2)3-7-6(8(13)14)4-11-9(10)12-7/h4-5H,3H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyLIXWZXMSNYQPQU-UHFFFAOYSA-N
XLogP0.96
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid (CID 75488591) is 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid is CC(C)Cc1nc(N)ncc1C(=O)O.
What is the InChIKey of 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
The InChIKey is LIXWZXMSNYQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)3-7-6(8(13)14)4-11-9(10)12-7/h4-5H,3H2,1-2H3,(H,13,14)(H2,10,11,12).
What are the key properties of 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpropyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 75488591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).