2-(hydroxymethyl)pyrimidine-4-carboxylic acid

C6H6N2O3 — CID 105430018

IUPAC2-(hydroxymethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CO)n1
InChIInChI=1S/C6H6N2O3/c9-3-5-7-2-1-4(8-5)6(10)11/h1-2,9H,3H2,(H,10,11)
InChIKeyAGUQGAWZAHVSHG-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.33
Rot. Bonds2

About 2-(hydroxymethyl)pyrimidine-4-carboxylic acid

2-(hydroxymethyl)pyrimidine-4-carboxylic acid (PubChem CID 105430018) has the molecular formula C6H6N2O3 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)pyrimidine-4-carboxylic acid
PubChem CID105430018
Molecular FormulaC6H6N2O3
Molecular Weight154.13 g/mol
Exact Mass154.04
IUPAC Name2-(hydroxymethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CO)n1
InChIInChI=1S/C6H6N2O3/c9-3-5-7-2-1-4(8-5)6(10)11/h1-2,9H,3H2,(H,10,11)
InChIKeyAGUQGAWZAHVSHG-UHFFFAOYSA-N
XLogP-0.33
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
2-(acetamidomethyl)pyrimidine-4-carboxylic acid
CID 84665880
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
2-[(3,4-dichlorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 55114826
2-bromopyrimidine-4-carboxylic acid
CID 72710417
2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxylic acid
CID 103150761
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107854803
2-[(2-chloro-4-fluorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 63036011
2-[(3-bromophenyl)sulfanylmethyl]pyrimidine-4-carboxylic acid
CID 66161023
2-[(5-fluoro-2-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82302552

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)pyrimidine-4-carboxylic acid (CID 105430018) is 2-(hydroxymethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(CO)n1.
What is the InChIKey of 2-(hydroxymethyl)pyrimidine-4-carboxylic acid?
The InChIKey is AGUQGAWZAHVSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-3-5-7-2-1-4(8-5)6(10)11/h1-2,9H,3H2,(H,10,11).
What are the key properties of 2-(hydroxymethyl)pyrimidine-4-carboxylic acid?
2-(hydroxymethyl)pyrimidine-4-carboxylic acid has a molecular weight of 154.13 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 105430018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).