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

C10H12N4O3 — CID 106108557

IUPAC3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C)cc(C#N)n1)C(=O)O
InChIInChI=1S/C10H12N4O3/c1-6-3-7(4-11)14-10(13-6)12-5-8(17-2)9(15)16/h3,8H,5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyQVOYCMZLDAXGJJ-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.17
Rot. Bonds5

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

3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid (PubChem CID 106108557) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
PubChem CID106108557
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nc(C)cc(C#N)n1)C(=O)O
InChIInChI=1S/C10H12N4O3/c1-6-3-7(4-11)14-10(13-6)12-5-8(17-2)9(15)16/h3,8H,5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyQVOYCMZLDAXGJJ-UHFFFAOYSA-N
XLogP0.17
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108618
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-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 107545107
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
CID 107543089
methyl 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 107542928

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid (CID 106108557) is 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid is COC(CNc1nc(C)cc(C#N)n1)C(=O)O.
What is the InChIKey of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
The InChIKey is QVOYCMZLDAXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-6-3-7(4-11)14-10(13-6)12-5-8(17-2)9(15)16/h3,8H,5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid?
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).