2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid

C12H12N4O3 — CID 15556162

IUPAC2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2c(N)nc(N)nc2C(=O)O)cc1
InChIInChI=1S/C12H12N4O3/c1-19-7-4-2-6(3-5-7)8-9(11(17)18)15-12(14)16-10(8)13/h2-5H,1H3,(H,17,18)(H4,13,14,15,16)
InChIKeyFUCVTUMJCZQGDK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.01
Rot. Bonds3

About 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid

2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 15556162) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID15556162
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2c(N)nc(N)nc2C(=O)O)cc1
InChIInChI=1S/C12H12N4O3/c1-19-7-4-2-6(3-5-7)8-9(11(17)18)15-12(14)16-10(8)13/h2-5H,1H3,(H,17,18)(H4,13,14,15,16)
InChIKeyFUCVTUMJCZQGDK-UHFFFAOYSA-N
XLogP1.01
TPSA124.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid (CID 15556162) is 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid is COc1ccc(-c2c(N)nc(N)nc2C(=O)O)cc1.
What is the InChIKey of 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is FUCVTUMJCZQGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-7-4-2-6(3-5-7)8-9(11(17)18)15-12(14)16-10(8)13/h2-5H,1H3,(H,17,18)(H4,13,14,15,16).
What are the key properties of 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 15556162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).