2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid

C9H13N3O3 — CID 84678274

IUPAC2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid
SMILESCNc1nc(C)c(CC(=O)O)c(OC)n1
InChIInChI=1S/C9H13N3O3/c1-5-6(4-7(13)14)8(15-3)12-9(10-2)11-5/h4H2,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyIQDYNLNKCRCXGT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.46
Rot. Bonds4

About 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid

2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid (PubChem CID 84678274) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid
PubChem CID84678274
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid
SMILESCNc1nc(C)c(CC(=O)O)c(OC)n1
InChIInChI=1S/C9H13N3O3/c1-5-6(4-7(13)14)8(15-3)12-9(10-2)11-5/h4H2,1-3H3,(H,13,14)(H,10,11,12)
InChIKeyIQDYNLNKCRCXGT-UHFFFAOYSA-N
XLogP0.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62746638
2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 61373629
[5-(2-fluoroethyl)-4,6-dimethoxypyrimidin-2-yl]carbamic acid
CID 174174237
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
CID 133099700
[5-(cyanomethyl)-4,6-dimethoxypyrimidin-2-yl]carbamic acid
CID 174174238
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
CID 45071760
2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 105497396
2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 106792870
2-(3,5-dichloro-2-methoxy-4-pyridinyl)acetic acid
CID 121279026
2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
CID 166790016
(5,6-diethyl-3-methoxypyrazin-2-yl)carbamic acid
CID 57099309

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid (CID 84678274) is 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid is CNc1nc(C)c(CC(=O)O)c(OC)n1.
What is the InChIKey of 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid?
The InChIKey is IQDYNLNKCRCXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-6(4-7(13)14)8(15-3)12-9(10-2)11-5/h4H2,1-3H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid?
2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-methyl-2-(methylamino)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 84678274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).