2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

C13H19N3O4 — CID 136959216

IUPAC2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESCC(C)c1nc(N2CCOC(CC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-8(2)13-14-10(6-11(17)15-13)16-3-4-20-9(7-16)5-12(18)19/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyKFTJQFQDMXPYBF-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.57
Rot. Bonds4

About 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (PubChem CID 136959216) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
PubChem CID136959216
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESCC(C)c1nc(N2CCOC(CC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-8(2)13-14-10(6-11(17)15-13)16-3-4-20-9(7-16)5-12(18)19/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyKFTJQFQDMXPYBF-UHFFFAOYSA-N
XLogP0.57
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 136352189
[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378672
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378676
3-methyl-2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 136490543
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 136622037
3-methoxy-4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845288
3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxypropanoic acid
CID 136958933
3-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxypropanoic acid
CID 136958935
4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959133
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959134
2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (CID 136959216) is 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is CC(C)c1nc(N2CCOC(CC(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The InChIKey is KFTJQFQDMXPYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(2)13-14-10(6-11(17)15-13)16-3-4-20-9(7-16)5-12(18)19/h6,8-9H,3-5,7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 136959216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).