3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C10H15N3O4 — CID 136845289

IUPAC3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCOC(CNc1cc(=O)[nH]c(C)n1)CC(=O)O
InChIInChI=1S/C10H15N3O4/c1-6-12-8(4-9(14)13-6)11-5-7(17-2)3-10(15)16/h4,7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyNQFDTGCKJRIDQP-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.02
Rot. Bonds6

About 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136845289) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136845289
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCOC(CNc1cc(=O)[nH]c(C)n1)CC(=O)O
InChIInChI=1S/C10H15N3O4/c1-6-12-8(4-9(14)13-6)11-5-7(17-2)3-10(15)16/h4,7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyNQFDTGCKJRIDQP-UHFFFAOYSA-N
XLogP-0.02
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid with MolForge

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Related Compounds

3-methoxy-4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845288
3-methoxy-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845292
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958380
2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959215
2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959216
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959217
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959218
3-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959363
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959365
3-ethoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136980150
methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
CID 136989712
methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
CID 137007730

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136845289) is 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is COC(CNc1cc(=O)[nH]c(C)n1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is NQFDTGCKJRIDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-12-8(4-9(14)13-6)11-5-7(17-2)3-10(15)16/h4,7H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136845289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).