2-methyl-1H-pyrimidine-2-carboxylic acid

C6H8N2O2 — CID 142786199

IUPAC2-methyl-1H-pyrimidine-2-carboxylic acid
SMILESCC1(C(=O)O)N=CC=CN1
InChIInChI=1S/C6H8N2O2/c1-6(5(9)10)7-3-2-4-8-6/h2-4,7H,1H3,(H,9,10)
InChIKeyKOXNDXHXBQYXFW-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.03
Rot. Bonds1

About 2-methyl-1H-pyrimidine-2-carboxylic acid

2-methyl-1H-pyrimidine-2-carboxylic acid (PubChem CID 142786199) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-methyl-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1H-pyrimidine-2-carboxylic acid
PubChem CID142786199
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-methyl-1H-pyrimidine-2-carboxylic acid
SMILESCC1(C(=O)O)N=CC=CN1
InChIInChI=1S/C6H8N2O2/c1-6(5(9)10)7-3-2-4-8-6/h2-4,7H,1H3,(H,9,10)
InChIKeyKOXNDXHXBQYXFW-UHFFFAOYSA-N
XLogP-0.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Dihydropyrimidineacetic acid
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(1-Pyrimidyl)propionic acid
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2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid
CID 118903348
2-(trifluoromethyl)-1H-pyrimidine-2-carboxylic acid;hydrochloride
CID 172697729
4-[(1-Carboxyethyl)amino]-2(1H)-pyrimidinone
CID 352581
2-amino-1H-pyrazine-2-carboxylic acid
CID 20256814
Acetic acid;1,2-dihydropyrimidine
CID 20493407
1,2-Dihydropyrimidine-2-carboxylic acid
CID 21293370
methyl 2-methyl-1H-pyrimidine-2-carboxylate
CID 22051117
2-amino-1H-pyrimidine-2-carboxylic acid
CID 69115924
2-(2-amino-1H-pyrimidin-2-yl)acetic acid
CID 69614620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1H-pyrimidine-2-carboxylic acid (CID 142786199) is 2-methyl-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1H-pyrimidine-2-carboxylic acid is CC1(C(=O)O)N=CC=CN1.
What is the InChIKey of 2-methyl-1H-pyrimidine-2-carboxylic acid?
The InChIKey is KOXNDXHXBQYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-6(5(9)10)7-3-2-4-8-6/h2-4,7H,1H3,(H,9,10).
What are the key properties of 2-methyl-1H-pyrimidine-2-carboxylic acid?
2-methyl-1H-pyrimidine-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 142786199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).