4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile

C18H25N3O2 — CID 151386863

IUPAC4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile
SMILESCc1c(OC2CCCCC2)nc(C#N)nc1OC1CCCCC1
InChIInChI=1S/C18H25N3O2/c1-13-17(22-14-8-4-2-5-9-14)20-16(12-19)21-18(13)23-15-10-6-3-7-11-15/h14-15H,2-11H2,1H3
InChIKeyOTPCUMJCMZAUEO-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.08
Rot. Bonds4

About 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile

4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile (PubChem CID 151386863) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile
PubChem CID151386863
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile
SMILESCc1c(OC2CCCCC2)nc(C#N)nc1OC1CCCCC1
InChIInChI=1S/C18H25N3O2/c1-13-17(22-14-8-4-2-5-9-14)20-16(12-19)21-18(13)23-15-10-6-3-7-11-15/h14-15H,2-11H2,1H3
InChIKeyOTPCUMJCMZAUEO-UHFFFAOYSA-N
XLogP4.08
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile?
The IUPAC name of 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile (CID 151386863) is 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile?
The canonical SMILES for 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile is Cc1c(OC2CCCCC2)nc(C#N)nc1OC1CCCCC1.
What is the InChIKey of 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile?
The InChIKey is OTPCUMJCMZAUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-17(22-14-8-4-2-5-9-14)20-16(12-19)21-18(13)23-15-10-6-3-7-11-15/h14-15H,2-11H2,1H3.
What are the key properties of 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile?
4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclohexyloxy-5-methylpyrimidine-2-carbonitrile is sourced from PubChem (CID 151386863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).