6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile

C14H17N5 — CID 126825385

IUPAC6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile
SMILESCCc1nc(C#N)cc(NC2CCCCC2C#N)n1
InChIInChI=1S/C14H17N5/c1-2-13-17-11(9-16)7-14(19-13)18-12-6-4-3-5-10(12)8-15/h7,10,12H,2-6H2,1H3,(H,17,18,19)
InChIKeyTWLDFDCXJRNDEB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.40
Rot. Bonds3

About 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile

6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile (PubChem CID 126825385) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile
PubChem CID126825385
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile
SMILESCCc1nc(C#N)cc(NC2CCCCC2C#N)n1
InChIInChI=1S/C14H17N5/c1-2-13-17-11(9-16)7-14(19-13)18-12-6-4-3-5-10(12)8-15/h7,10,12H,2-6H2,1H3,(H,17,18,19)
InChIKeyTWLDFDCXJRNDEB-UHFFFAOYSA-N
XLogP2.40
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile (CID 126825385) is 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile is CCc1nc(C#N)cc(NC2CCCCC2C#N)n1.
What is the InChIKey of 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile?
The InChIKey is TWLDFDCXJRNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-13-17-11(9-16)7-14(19-13)18-12-6-4-3-5-10(12)8-15/h7,10,12H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile?
6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyanocyclohexyl)amino]-2-ethylpyrimidine-4-carbonitrile is sourced from PubChem (CID 126825385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).