2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid

C12H12N4O2 — CID 150188567

IUPAC2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C12H12N4O2/c1-7-9(11(17)18)10(16-12(13)14-7)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,17,18)(H3,13,14,15,16)
InChIKeyFMYLZUFPVBZCIW-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.81
Rot. Bonds3

About 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid

2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid (PubChem CID 150188567) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
PubChem CID150188567
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C12H12N4O2/c1-7-9(11(17)18)10(16-12(13)14-7)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,17,18)(H3,13,14,15,16)
InChIKeyFMYLZUFPVBZCIW-UHFFFAOYSA-N
XLogP1.81
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid (CID 150188567) is 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid is Cc1nc(N)nc(Nc2ccccc2)c1C(=O)O.
What is the InChIKey of 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is FMYLZUFPVBZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-9(11(17)18)10(16-12(13)14-7)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,17,18)(H3,13,14,15,16).
What are the key properties of 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid?
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 150188567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).