3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid

C14H21N3O4 — CID 115973140

IUPAC3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCCOc1cc(C)nc(NC2COCC2(C)C(=O)O)n1
InChIInChI=1S/C14H21N3O4/c1-4-5-21-11-6-9(2)15-13(17-11)16-10-7-20-8-14(10,3)12(18)19/h6,10H,4-5,7-8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyACMMKPATVXAQET-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.48
Rot. Bonds6

About 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid

3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 115973140) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID115973140
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
SMILESCCCOc1cc(C)nc(NC2COCC2(C)C(=O)O)n1
InChIInChI=1S/C14H21N3O4/c1-4-5-21-11-6-9(2)15-13(17-11)16-10-7-20-8-14(10,3)12(18)19/h6,10H,4-5,7-8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyACMMKPATVXAQET-UHFFFAOYSA-N
XLogP1.48
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112637391
N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 114632140
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 115973155
4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 66318064
3-methyl-4-[(5-nitropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 66248927
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
N-[2-(aminomethyl)cyclohexyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973485
N-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-4-amine
CID 112638451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid (CID 115973140) is 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid is CCCOc1cc(C)nc(NC2COCC2(C)C(=O)O)n1.
What is the InChIKey of 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is ACMMKPATVXAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-5-21-11-6-9(2)15-13(17-11)16-10-7-20-8-14(10,3)12(18)19/h6,10H,4-5,7-8H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid?
3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115973140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).