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

C14H20N2O3 — CID 62085600

IUPAC5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OC2CCCCC2)c(C(=O)O)n1
InChIInChI=1S/C14H20N2O3/c1-9(2)13-15-8-11(12(16-13)14(17)18)19-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyAHCLZXYCPBRLOJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.01
Rot. Bonds4

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

5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62085600) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62085600
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OC2CCCCC2)c(C(=O)O)n1
InChIInChI=1S/C14H20N2O3/c1-9(2)13-15-8-11(12(16-13)14(17)18)19-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyAHCLZXYCPBRLOJ-UHFFFAOYSA-N
XLogP3.01
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 84071002
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CID 113564524
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CID 14037868
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CID 62085762
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CID 66277590
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CID 82004733
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CID 82789412

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62085600) is 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(OC2CCCCC2)c(C(=O)O)n1.
What is the InChIKey of 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is AHCLZXYCPBRLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)13-15-8-11(12(16-13)14(17)18)19-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62085600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).