4-cycloheptyl-6-propylpyrimidine-2-carbonitrile

C15H21N3 — CID 11694425

IUPAC4-cycloheptyl-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(C2CCCCCC2)nc(C#N)n1
InChIInChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3
InChIKeyUOAUUFFKQMFGTJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.74
Rot. Bonds3

About 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile

4-cycloheptyl-6-propylpyrimidine-2-carbonitrile (PubChem CID 11694425) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-cycloheptyl-6-propylpyrimidine-2-carbonitrile
PubChem CID11694425
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-cycloheptyl-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(C2CCCCCC2)nc(C#N)n1
InChIInChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3
InChIKeyUOAUUFFKQMFGTJ-UHFFFAOYSA-N
XLogP3.74
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile?
The IUPAC name of 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile (CID 11694425) is 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile is CCCc1cc(C2CCCCCC2)nc(C#N)n1.
What is the InChIKey of 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile?
The InChIKey is UOAUUFFKQMFGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3.
What are the key properties of 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile?
4-cycloheptyl-6-propylpyrimidine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile is sourced from PubChem (CID 11694425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).