2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine

C17H20N2O — CID 58142808

IUPAC2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine
SMILESCOC1(c2ccc(-c3ncccn3)cc2)CCCCC1
InChIInChI=1S/C17H20N2O/c1-20-17(10-3-2-4-11-17)15-8-6-14(7-9-15)16-18-12-5-13-19-16/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyJVWCCDPLPJXSOQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.95
Rot. Bonds3

About 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine

2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine (PubChem CID 58142808) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine
PubChem CID58142808
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine
SMILESCOC1(c2ccc(-c3ncccn3)cc2)CCCCC1
InChIInChI=1S/C17H20N2O/c1-20-17(10-3-2-4-11-17)15-8-6-14(7-9-15)16-18-12-5-13-19-16/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyJVWCCDPLPJXSOQ-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine?
The IUPAC name of 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine (CID 58142808) is 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine is COC1(c2ccc(-c3ncccn3)cc2)CCCCC1.
What is the InChIKey of 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine?
The InChIKey is JVWCCDPLPJXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-17(10-3-2-4-11-17)15-8-6-14(7-9-15)16-18-12-5-13-19-16/h5-9,12-13H,2-4,10-11H2,1H3.
What are the key properties of 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine?
2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxycyclohexyl)phenyl]pyrimidine is sourced from PubChem (CID 58142808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).