2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid

C9H13N3O3 — CID 66318731

IUPAC2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
SMILESCCC(Nc1cc(OC)ncn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-3-6(9(13)14)12-7-4-8(15-2)11-5-10-7/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyJMDRNAWFTHAULS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.76
Rot. Bonds5

About 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid

2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid (PubChem CID 66318731) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
PubChem CID66318731
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
SMILESCCC(Nc1cc(OC)ncn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-3-6(9(13)14)12-7-4-8(15-2)11-5-10-7/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyJMDRNAWFTHAULS-UHFFFAOYSA-N
XLogP0.76
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855
N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 113407899
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 66320574
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
CID 66324981
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 103153890
2-[(7-methoxyquinazolin-4-yl)amino]butanoic acid
CID 21003137
N-hex-1-yn-3-yl-6-methoxypyrimidin-4-amine
CID 106231578

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid (CID 66318731) is 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid is CCC(Nc1cc(OC)ncn1)C(=O)O.
What is the InChIKey of 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
The InChIKey is JMDRNAWFTHAULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-6(9(13)14)12-7-4-8(15-2)11-5-10-7/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 66318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).