4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid

C11H11N5O2 — CID 116647320

IUPAC4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1cnc(-c2nc(C)c(C(=O)O)c(N)n2)nc1
InChIInChI=1S/C11H11N5O2/c1-5-3-13-9(14-4-5)10-15-6(2)7(11(17)18)8(12)16-10/h3-4H,1-2H3,(H,17,18)(H2,12,15,16)
InChIKeyZNCPFNPUEBOYSR-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.83
Rot. Bonds2

About 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid

4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 116647320) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID116647320
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid
SMILESCc1cnc(-c2nc(C)c(C(=O)O)c(N)n2)nc1
InChIInChI=1S/C11H11N5O2/c1-5-3-13-9(14-4-5)10-15-6(2)7(11(17)18)8(12)16-10/h3-4H,1-2H3,(H,17,18)(H2,12,15,16)
InChIKeyZNCPFNPUEBOYSR-UHFFFAOYSA-N
XLogP0.83
TPSA114.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 114879069
4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 155338271
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
5-methyl-2-(5-methylpyrimidin-2-yl)-6-phenylpyrimidin-4-amine
CID 104846665
4-amino-6-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116647398
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431871
4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
CID 116648136
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-amino-2-(cyclopropylmethyl)-6-methylpyrimidine-5-carboxylic acid
CID 116647476
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340
4-amino-6-methyl-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 116648075

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid (CID 116647320) is 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid is Cc1cnc(-c2nc(C)c(C(=O)O)c(N)n2)nc1.
What is the InChIKey of 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is ZNCPFNPUEBOYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-5-3-13-9(14-4-5)10-15-6(2)7(11(17)18)8(12)16-10/h3-4H,1-2H3,(H,17,18)(H2,12,15,16).
What are the key properties of 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid?
4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).