5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid

C11H15N3O4 — CID 137015890

IUPAC5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCc1nc(NCC2CCC(C(=O)O)O2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-6-13-9(4-10(15)14-6)12-5-7-2-3-8(18-7)11(16)17/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyGRCMQPRKVBYXGZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.12
Rot. Bonds4

About 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 137015890) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID137015890
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCc1nc(NCC2CCC(C(=O)O)O2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-6-13-9(4-10(15)14-6)12-5-7-2-3-8(18-7)11(16)17/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyGRCMQPRKVBYXGZ-UHFFFAOYSA-N
XLogP0.12
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid (CID 137015890) is 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid is Cc1nc(NCC2CCC(C(=O)O)O2)cc(=O)[nH]1.
What is the InChIKey of 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is GRCMQPRKVBYXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-13-9(4-10(15)14-6)12-5-7-2-3-8(18-7)11(16)17/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 137015890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).