6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile

C14H16N4 — CID 167867833

IUPAC6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)ncn1
InChIInChI=1S/C14H16N4/c15-8-13-7-14(18-9-17-13)16-4-3-12-6-10-1-2-11(12)5-10/h1-2,7,9-12H,3-6H2,(H,16,17,18)/t10-,11+,12-/m1/s1
InChIKeyUWTNSGNYLPCTBV-GRYCIOLGSA-N
MW240.31 g/mol
LogP2.36
Rot. Bonds4

About 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile

6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile (PubChem CID 167867833) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
PubChem CID167867833
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)ncn1
InChIInChI=1S/C14H16N4/c15-8-13-7-14(18-9-17-13)16-4-3-12-6-10-1-2-11(12)5-10/h1-2,7,9-12H,3-6H2,(H,16,17,18)/t10-,11+,12-/m1/s1
InChIKeyUWTNSGNYLPCTBV-GRYCIOLGSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 122097285
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile (CID 167867833) is 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile is N#Cc1cc(NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)ncn1.
What is the InChIKey of 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is UWTNSGNYLPCTBV-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H16N4/c15-8-13-7-14(18-9-17-13)16-4-3-12-6-10-1-2-11(12)5-10/h1-2,7,9-12H,3-6H2,(H,16,17,18)/t10-,11+,12-/m1/s1.
What are the key properties of 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile?
6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 167867833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).