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

C10H15N3O4 — CID 81077788

IUPAC2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
SMILESCCOc1cc(NC(COC)C(=O)O)ncn1
InChIInChI=1S/C10H15N3O4/c1-3-17-9-4-8(11-6-12-9)13-7(5-16-2)10(14)15/h4,6-7H,3,5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyDEAAHURDXZFTJR-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.39
Rot. Bonds7

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

2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid (PubChem CID 81077788) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
PubChem CID81077788
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
SMILESCCOc1cc(NC(COC)C(=O)O)ncn1
InChIInChI=1S/C10H15N3O4/c1-3-17-9-4-8(11-6-12-9)13-7(5-16-2)10(14)15/h4,6-7H,3,5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyDEAAHURDXZFTJR-UHFFFAOYSA-N
XLogP0.39
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 66320574
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 133485696
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
6-ethoxy-N-[1-(furan-2-yl)-2-methoxyethyl]pyrimidin-4-amine
CID 133485624
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
2-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474919
2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
CID 83880025
6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66330763
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid (CID 81077788) is 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid is CCOc1cc(NC(COC)C(=O)O)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The InChIKey is DEAAHURDXZFTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-17-9-4-8(11-6-12-9)13-7(5-16-2)10(14)15/h4,6-7H,3,5H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid?
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).