4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

C12H17N3O4 — CID 136959133

IUPAC4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESCC(C)c1nc(N2CCOCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c1-7(2)11-13-9(5-10(16)14-11)15-3-4-19-6-8(15)12(17)18/h5,7-8H,3-4,6H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyGMYRCOBHMWTWQA-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.18
Rot. Bonds3

About 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (PubChem CID 136959133) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
PubChem CID136959133
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESCC(C)c1nc(N2CCOCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c1-7(2)11-13-9(5-10(16)14-11)15-3-4-19-6-8(15)12(17)18/h5,7-8H,3-4,6H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyGMYRCOBHMWTWQA-UHFFFAOYSA-N
XLogP0.18
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Morpholino-6-oxo-1,6-dihydropyrimidin-2-yl)acetic acid
CID 135905420
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 136352189
2-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 136619537
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 136622037
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)propanoate
CID 144115888
2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958651
2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958749
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958767
4-(6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959132
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959134
4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959135
4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959137

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (CID 136959133) is 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is CC(C)c1nc(N2CCOCC2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The InChIKey is GMYRCOBHMWTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)11-13-9(5-10(16)14-11)15-3-4-19-6-8(15)12(17)18/h5,7-8H,3-4,6H2,1-2H3,(H,17,18)(H,13,14,16).
What are the key properties of 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 136959133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).