4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid

C11H15N3O4 — CID 136959426

IUPAC4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESCc1nc(NC2(C(=O)O)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-7-12-8(6-9(15)13-7)14-11(10(16)17)2-4-18-5-3-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyNQNCGOYQTIDPSP-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.12
Rot. Bonds3

About 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid

4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (PubChem CID 136959426) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
PubChem CID136959426
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESCc1nc(NC2(C(=O)O)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-7-12-8(6-9(15)13-7)14-11(10(16)17)2-4-18-5-3-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyNQNCGOYQTIDPSP-UHFFFAOYSA-N
XLogP0.12
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136730475
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959070
2-ethyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959298
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959423
4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959424
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959425
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959427
2-ethyl-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 137003318
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015841

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (CID 136959426) is 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is Cc1nc(NC2(C(=O)O)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The InChIKey is NQNCGOYQTIDPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-12-8(6-9(15)13-7)14-11(10(16)17)2-4-18-5-3-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 136959426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).