2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile

C12H16N4O — CID 107544548

IUPAC2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCOC2CCCC2)n1
InChIInChI=1S/C12H16N4O/c13-9-10-5-6-14-12(16-10)15-7-8-17-11-3-1-2-4-11/h5-6,11H,1-4,7-8H2,(H,14,15,16)
InChIKeyQSPBURHMNRXGSY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.72
Rot. Bonds5

About 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile

2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile (PubChem CID 107544548) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
PubChem CID107544548
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCOC2CCCC2)n1
InChIInChI=1S/C12H16N4O/c13-9-10-5-6-14-12(16-10)15-7-8-17-11-3-1-2-4-11/h5-6,11H,1-4,7-8H2,(H,14,15,16)
InChIKeyQSPBURHMNRXGSY-UHFFFAOYSA-N
XLogP1.72
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-(2-cyclohexyloxyethylamino)pyridine-4-carbonitrile
CID 63826491
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543494
2-cycloheptyloxypyrimidine-4-carbonitrile
CID 107545864
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile (CID 107544548) is 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile is N#Cc1ccnc(NCCOC2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile?
The InChIKey is QSPBURHMNRXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-10-5-6-14-12(16-10)15-7-8-17-11-3-1-2-4-11/h5-6,11H,1-4,7-8H2,(H,14,15,16).
What are the key properties of 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile?
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).