4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine

C17H20N2O2 — CID 67464304

IUPAC4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(OC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O2/c1-20-12-14-11-16(21-15-9-5-6-10-15)19-17(18-14)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3
InChIKeyDUMHCHRECROAIY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.61
Rot. Bonds5

About 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine

4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 67464304) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID67464304
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(OC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O2/c1-20-12-14-11-16(21-15-9-5-6-10-15)19-17(18-14)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3
InChIKeyDUMHCHRECROAIY-UHFFFAOYSA-N
XLogP3.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine (CID 67464304) is 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(OC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is DUMHCHRECROAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-12-14-11-16(21-15-9-5-6-10-15)19-17(18-14)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3.
What are the key properties of 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine?
4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 284.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 67464304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).