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

C10H14N4O4 — CID 136959185

IUPAC4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H14N4O4/c1-10(9(16)17)3-18-2-5(10)14-7-6(11)8(15)13-4-12-7/h4-5H,2-3,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyUMEUNVNHJALDIJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.75
Rot. Bonds3

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

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 136959185) 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)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID136959185
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H14N4O4/c1-10(9(16)17)3-18-2-5(10)14-7-6(11)8(15)13-4-12-7/h4-5H,2-3,11H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyUMEUNVNHJALDIJ-UHFFFAOYSA-N
XLogP-0.75
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methoxybutanoic acid
CID 136958754
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-[(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
3-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959186
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 136959190
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015862

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid (CID 136959185) is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is UMEUNVNHJALDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-10(9(16)17)3-18-2-5(10)14-7-6(11)8(15)13-4-12-7/h4-5H,2-3,11H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.75, 3 rotatable bonds, 4 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)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 136959185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).