2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid

C10H8N4O3 — CID 102952904

IUPAC2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid
SMILESCOc1cc(-c2nccc(C(=O)O)n2)ncn1
InChIInChI=1S/C10H8N4O3/c1-17-8-4-7(12-5-13-8)9-11-3-2-6(14-9)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyDYCKXZMSNLAZDM-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.64
Rot. Bonds3

About 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid

2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid (PubChem CID 102952904) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid
PubChem CID102952904
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid
SMILESCOc1cc(-c2nccc(C(=O)O)n2)ncn1
InChIInChI=1S/C10H8N4O3/c1-17-8-4-7(12-5-13-8)9-11-3-2-6(14-9)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyDYCKXZMSNLAZDM-UHFFFAOYSA-N
XLogP0.64
TPSA98.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxypyrimidine-4-carboxylic acid
CID 3300297
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603
1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 102952915
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625
2-(4-methylpyrimidin-5-yl)pyrimidine-4-carboxylic acid
CID 83821602
5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
CID 102952764
[2-(6-methoxypyrimidin-4-yl)-6-methylpyrimidin-4-yl]methanol
CID 102952908
4-[(6-methoxypyrimidin-4-yl)-methylamino]benzoic acid
CID 113442769
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
2-(6-methoxypyrimidin-4-yl)phenol
CID 608793

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid (CID 102952904) is 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid is COc1cc(-c2nccc(C(=O)O)n2)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid?
The InChIKey is DYCKXZMSNLAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c1-17-8-4-7(12-5-13-8)9-11-3-2-6(14-9)10(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid?
2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 102952904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).