4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid

C10H14N4O4 — CID 137015863

IUPAC4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O
InChIInChI=1S/C10H14N4O4/c1-14(6-3-18-2-5(6)10(16)17)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyOIECRZAAUHPCAV-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.11
Rot. Bonds3

About 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 137015863) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
PubChem CID137015863
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O
InChIInChI=1S/C10H14N4O4/c1-14(6-3-18-2-5(6)10(16)17)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyOIECRZAAUHPCAV-UHFFFAOYSA-N
XLogP-1.11
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959067
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959165
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959166
4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959170
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid
CID 136959174
4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959175
4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959178
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959180
4-[(6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959181
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959183
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 136959185
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959186

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid (CID 137015863) is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid is CN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is OIECRZAAUHPCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-14(6-3-18-2-5(6)10(16)17)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid?
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 137015863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).