4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid

C15H22N2O3 — CID 83181126

IUPAC4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid
SMILESCc1nc(OC2CC(C)CC(C)(C)C2)ncc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-9-5-11(7-15(3,4)6-9)20-14-16-8-12(13(18)19)10(2)17-14/h8-9,11H,5-7H2,1-4H3,(H,18,19)
InChIKeyODNIUTJEZSWJNP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.08
Rot. Bonds3

About 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid

4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid (PubChem CID 83181126) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid
PubChem CID83181126
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid
SMILESCc1nc(OC2CC(C)CC(C)(C)C2)ncc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-9-5-11(7-15(3,4)6-9)20-14-16-8-12(13(18)19)10(2)17-14/h8-9,11H,5-7H2,1-4H3,(H,18,19)
InChIKeyODNIUTJEZSWJNP-UHFFFAOYSA-N
XLogP3.08
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid (CID 83181126) is 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid is Cc1nc(OC2CC(C)CC(C)(C)C2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid?
The InChIKey is ODNIUTJEZSWJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-5-11(7-15(3,4)6-9)20-14-16-8-12(13(18)19)10(2)17-14/h8-9,11H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid?
4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,3,5-trimethylcyclohexyl)oxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).