5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H16N2O3 — CID 62085601

IUPAC5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C15H16N2O3/c1-10(2)14-16-8-12(13(17-14)15(18)19)20-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyLWIYRUKBJWCPBT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.88
Rot. Bonds5

About 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid

5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62085601) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62085601
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCc2ccccc2)c(C(=O)O)n1
InChIInChI=1S/C15H16N2O3/c1-10(2)14-16-8-12(13(17-14)15(18)19)20-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyLWIYRUKBJWCPBT-UHFFFAOYSA-N
XLogP2.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62085601) is 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(OCc2ccccc2)c(C(=O)O)n1.
What is the InChIKey of 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is LWIYRUKBJWCPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(2)14-16-8-12(13(17-14)15(18)19)20-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62085601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).