2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid

C10H15N3O4 — CID 136959365

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
SMILESCCc1nc(NC(COC)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-3-7-12-8(4-9(14)13-7)11-6(5-17-2)10(15)16/h4,6H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyBEMOLRLEQMNLKK-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.16
Rot. Bonds6

About 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid (PubChem CID 136959365) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
PubChem CID136959365
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
SMILESCCc1nc(NC(COC)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c1-3-7-12-8(4-9(14)13-7)11-6(5-17-2)10(15)16/h4,6H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyBEMOLRLEQMNLKK-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
2-ethyl-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870606
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956086
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956410
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958426
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958428
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958430
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958435
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958437
2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958651
2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958652
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958654

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid (CID 136959365) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid is CCc1nc(NC(COC)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid?
The InChIKey is BEMOLRLEQMNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-7-12-8(4-9(14)13-7)11-6(5-17-2)10(15)16/h4,6H,3,5H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 136959365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).