6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile

C13H11BrN4 — CID 115143046

IUPAC6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCc2ccc(Br)cc2)ncn1
InChIInChI=1S/C13H11BrN4/c14-11-3-1-10(2-4-11)5-6-16-13-7-12(8-15)17-9-18-13/h1-4,7,9H,5-6H2,(H,16,17,18)
InChIKeyAWHUSUFIBYNQMI-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.77
Rot. Bonds4

About 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile

6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 115143046) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
PubChem CID115143046
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(NCCc2ccc(Br)cc2)ncn1
InChIInChI=1S/C13H11BrN4/c14-11-3-1-10(2-4-11)5-6-16-13-7-12(8-15)17-9-18-13/h1-4,7,9H,5-6H2,(H,16,17,18)
InChIKeyAWHUSUFIBYNQMI-UHFFFAOYSA-N
XLogP2.77
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(4-bromophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 115143141
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264702
6-[2-(1-benzofuran-3-yl)ethylamino]pyrimidine-4-carbonitrile
CID 115143084
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
6-[[4-(3-bromophenyl)oxan-4-yl]methylamino]pyrimidine-4-carbonitrile
CID 154863864
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile (CID 115143046) is 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile is N#Cc1cc(NCCc2ccc(Br)cc2)ncn1.
What is the InChIKey of 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is AWHUSUFIBYNQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-3-1-10(2-4-11)5-6-16-13-7-12(8-15)17-9-18-13/h1-4,7,9H,5-6H2,(H,16,17,18).
What are the key properties of 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile?
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 303.16 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).