6-amino-2-cyclohexylpyrimidine-4-carbonitrile

C11H14N4 — CID 116862724

IUPAC6-amino-2-cyclohexylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(N)nc(C2CCCCC2)n1
InChIInChI=1S/C11H14N4/c12-7-9-6-10(13)15-11(14-9)8-4-2-1-3-5-8/h6,8H,1-5H2,(H2,13,14,15)
InChIKeyVYSIJSWNZJZVPJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.98
Rot. Bonds1

About 6-amino-2-cyclohexylpyrimidine-4-carbonitrile

6-amino-2-cyclohexylpyrimidine-4-carbonitrile (PubChem CID 116862724) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-amino-2-cyclohexylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-cyclohexylpyrimidine-4-carbonitrile
PubChem CID116862724
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-amino-2-cyclohexylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(N)nc(C2CCCCC2)n1
InChIInChI=1S/C11H14N4/c12-7-9-6-10(13)15-11(14-9)8-4-2-1-3-5-8/h6,8H,1-5H2,(H2,13,14,15)
InChIKeyVYSIJSWNZJZVPJ-UHFFFAOYSA-N
XLogP1.98
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-cyclohexylpyrimidine-4-carbonitrile?
The IUPAC name of 6-amino-2-cyclohexylpyrimidine-4-carbonitrile (CID 116862724) is 6-amino-2-cyclohexylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-cyclohexylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-amino-2-cyclohexylpyrimidine-4-carbonitrile is N#Cc1cc(N)nc(C2CCCCC2)n1.
What is the InChIKey of 6-amino-2-cyclohexylpyrimidine-4-carbonitrile?
The InChIKey is VYSIJSWNZJZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-7-9-6-10(13)15-11(14-9)8-4-2-1-3-5-8/h6,8H,1-5H2,(H2,13,14,15).
What are the key properties of 6-amino-2-cyclohexylpyrimidine-4-carbonitrile?
6-amino-2-cyclohexylpyrimidine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cyclohexylpyrimidine-4-carbonitrile is sourced from PubChem (CID 116862724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).