2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid

C8H10N2O3 — CID 82601254

IUPAC2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O3/c1-5-6(3-7(11)12)4-9-8(10-5)13-2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyPESULRQKXNAVSS-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.42
Rot. Bonds3

About 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid

2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid (PubChem CID 82601254) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid
PubChem CID82601254
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O3/c1-5-6(3-7(11)12)4-9-8(10-5)13-2/h4H,3H2,1-2H3,(H,11,12)
InChIKeyPESULRQKXNAVSS-UHFFFAOYSA-N
XLogP0.42
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methoxypyrimidin-5-yl)acetic acid
CID 55268291
2-(4-Ethyl-2-methoxypyrimidin-5-yl)acetic acid
CID 82657594
2-[4-(Trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82610181
2-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82621938
2-[2-(Tetrazol-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 89619356
1-[4-(Trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
CID 96894476
2-(5-Fluoro-2-methoxypyrimidin-4-yl)propanoic acid
CID 166585334
1-[4-(Difluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
CID 171833040
[3,3,3-Trifluoro-2-(4-methylpyrimidin-5-yl)propyl] formate
CID 174624877
2-[2-[(1-Methylpiperidin-4-yl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 175375907
2,4-Dimethyl-5-pyrimidineethanol
CID 147642
1-[2-Methoxy-4-(trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
CID 82666289

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid (CID 82601254) is 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid is COc1ncc(CC(=O)O)c(C)n1.
What is the InChIKey of 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid?
The InChIKey is PESULRQKXNAVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-6(3-7(11)12)4-9-8(10-5)13-2/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid?
2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 82601254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).