2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile

C19H21N3O — CID 173349738

IUPAC2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile
SMILESCc1cnc(-c2ccc(OCC3CCCCC3)c(C#N)c2)nc1
InChIInChI=1S/C19H21N3O/c1-14-11-21-19(22-12-14)16-7-8-18(17(9-16)10-20)23-13-15-5-3-2-4-6-15/h7-9,11-12,15H,2-6,13H2,1H3
InChIKeyWWCJEMPWMUSIHB-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.28
Rot. Bonds4

About 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile

2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile (PubChem CID 173349738) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile
PubChem CID173349738
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile
SMILESCc1cnc(-c2ccc(OCC3CCCCC3)c(C#N)c2)nc1
InChIInChI=1S/C19H21N3O/c1-14-11-21-19(22-12-14)16-7-8-18(17(9-16)10-20)23-13-15-5-3-2-4-6-15/h7-9,11-12,15H,2-6,13H2,1H3
InChIKeyWWCJEMPWMUSIHB-UHFFFAOYSA-N
XLogP4.28
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-4-(cyclohexylmethoxy)phenyl]-5-methylpyrimidine
CID 173349884
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
[4-[[2-cyano-4-(5-methylpyrimidin-2-yl)phenoxy]methyl]cyclohexyl] (2S)-2-fluorohexanoate
CID 54095339
5-(2-aminopyrimidin-4-yl)-2-(cyclohexylmethoxy)benzonitrile
CID 71520896
2-(cyclopropylmethoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzonitrile
CID 12991043
2-(cyclobutylmethoxy)-5-[2-(1H-pyrazol-4-ylmethyl)-4-pyridinyl]benzonitrile
CID 159004716
2-[4-(cyclohexylmethoxy)-3-fluorophenyl]-5-octylpyrimidine
CID 173349617
2-[3-bromo-4-(cyclohexylmethoxy)phenyl]-5-heptylpyrimidine
CID 173349706
5-[4-(2-cyclohexylethyl)phenyl]-2-methoxybenzonitrile
CID 173349929
5-[4-(2-cyclohexylethyl)phenyl]-2-octoxybenzonitrile
CID 173349880
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile?
The IUPAC name of 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile (CID 173349738) is 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile.
What is the SMILES notation for 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile?
The canonical SMILES for 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile is Cc1cnc(-c2ccc(OCC3CCCCC3)c(C#N)c2)nc1.
What is the InChIKey of 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile?
The InChIKey is WWCJEMPWMUSIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-11-21-19(22-12-14)16-7-8-18(17(9-16)10-20)23-13-15-5-3-2-4-6-15/h7-9,11-12,15H,2-6,13H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile?
2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile has a molecular weight of 307.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 173349738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).