2-cycloheptyloxypyrimidine-4-carbonitrile

C12H15N3O — CID 107545864

IUPAC2-cycloheptyloxypyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CCCCCC2)n1
InChIInChI=1S/C12H15N3O/c13-9-10-7-8-14-12(15-10)16-11-5-3-1-2-4-6-11/h7-8,11H,1-6H2
InChIKeyRDPMQYWHCKSTCT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.45
Rot. Bonds2

About 2-cycloheptyloxypyrimidine-4-carbonitrile

2-cycloheptyloxypyrimidine-4-carbonitrile (PubChem CID 107545864) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-cycloheptyloxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-cycloheptyloxypyrimidine-4-carbonitrile
PubChem CID107545864
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-cycloheptyloxypyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CCCCCC2)n1
InChIInChI=1S/C12H15N3O/c13-9-10-7-8-14-12(15-10)16-11-5-3-1-2-4-6-11/h7-8,11H,1-6H2
InChIKeyRDPMQYWHCKSTCT-UHFFFAOYSA-N
XLogP2.45
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxypyrimidine-4-carbonitrile?
The IUPAC name of 2-cycloheptyloxypyrimidine-4-carbonitrile (CID 107545864) is 2-cycloheptyloxypyrimidine-4-carbonitrile.
What is the SMILES notation for 2-cycloheptyloxypyrimidine-4-carbonitrile?
The canonical SMILES for 2-cycloheptyloxypyrimidine-4-carbonitrile is N#Cc1ccnc(OC2CCCCCC2)n1.
What is the InChIKey of 2-cycloheptyloxypyrimidine-4-carbonitrile?
The InChIKey is RDPMQYWHCKSTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-10-7-8-14-12(15-10)16-11-5-3-1-2-4-6-11/h7-8,11H,1-6H2.
What are the key properties of 2-cycloheptyloxypyrimidine-4-carbonitrile?
2-cycloheptyloxypyrimidine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107545864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).