3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid

C10H15N3O3 — CID 106108618

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-6-4-7(2)13-10(12-6)11-5-8(16-3)9(14)15/h4,8H,5H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyKHRLXNTVGBLAJU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.60
Rot. Bonds5

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid

3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid (PubChem CID 106108618) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
PubChem CID106108618
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-6-4-7(2)13-10(12-6)11-5-8(16-3)9(14)15/h4,8H,5H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyKHRLXNTVGBLAJU-UHFFFAOYSA-N
XLogP0.60
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
CID 65226929
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108640
2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 106108396
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
4,4-dimethyl-2-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]pentanoic acid
CID 107475049
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid (CID 106108618) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid is COC(CNc1nc(C)cc(C)n1)C(=O)O.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
The InChIKey is KHRLXNTVGBLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-4-7(2)13-10(12-6)11-5-8(16-3)9(14)15/h4,8H,5H2,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).