4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid

C12H17N3O3 — CID 114214804

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NC2(C)CCOC2C)n1
InChIInChI=1S/C12H17N3O3/c1-7-12(3,4-5-18-7)15-10-9(11(16)17)6-13-8(2)14-10/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyISQYZYUEUVUMLO-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.46
Rot. Bonds3

About 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid

4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114214804) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid
PubChem CID114214804
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NC2(C)CCOC2C)n1
InChIInChI=1S/C12H17N3O3/c1-7-12(3,4-5-18-7)15-10-9(11(16)17)6-13-8(2)14-10/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyISQYZYUEUVUMLO-UHFFFAOYSA-N
XLogP1.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid (CID 114214804) is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(NC2(C)CCOC2C)n1.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is ISQYZYUEUVUMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-12(3,4-5-18-7)15-10-9(11(16)17)6-13-8(2)14-10/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid?
4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).