6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile

C11H14N4 — CID 115143093

IUPAC6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCC2CCC2)ncn1
InChIInChI=1S/C11H14N4/c12-7-10-6-11(15-8-14-10)13-5-4-9-2-1-3-9/h6,8-9H,1-5H2,(H,13,14,15)
InChIKeyZPBQOHLVQZEJPT-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.95
Rot. Bonds4

About 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile

6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile (PubChem CID 115143093) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
PubChem CID115143093
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCC2CCC2)ncn1
InChIInChI=1S/C11H14N4/c12-7-10-6-11(15-8-14-10)13-5-4-9-2-1-3-9/h6,8-9H,1-5H2,(H,13,14,15)
InChIKeyZPBQOHLVQZEJPT-UHFFFAOYSA-N
XLogP1.95
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115263965
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
CID 167867833
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
CID 115264162
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile (CID 115143093) is 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile is N#Cc1cc(NCCC2CCC2)ncn1.
What is the InChIKey of 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile?
The InChIKey is ZPBQOHLVQZEJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-7-10-6-11(15-8-14-10)13-5-4-9-2-1-3-9/h6,8-9H,1-5H2,(H,13,14,15).
What are the key properties of 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile?
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).