4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine

C13H12ClN5 — CID 80853710

IUPAC4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H12ClN5/c1-2-15-13-16-7-9(14)12(18-13)19-8-17-10-5-3-4-6-11(10)19/h3-8H,2H2,1H3,(H,15,16,18)
InChIKeyJAGHEPPPNYDFGV-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.90
Rot. Bonds3

About 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine

4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine (PubChem CID 80853710) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
PubChem CID80853710
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H12ClN5/c1-2-15-13-16-7-9(14)12(18-13)19-8-17-10-5-3-4-6-11(10)19/h3-8H,2H2,1H3,(H,15,16,18)
InChIKeyJAGHEPPPNYDFGV-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]acetaldehyde
CID 146243949
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
1-[5-chloro-2-(4-propylheptyl)pyrimidin-4-yl]benzimidazole
CID 146244049
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80857052
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
6-(benzimidazol-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80841846
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
4-(benzimidazol-1-yl)-5-chloro-N-[3-chloro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
CID 148816833
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855498

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine (CID 80853710) is 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine is CCNc1ncc(Cl)c(-n2cnc3ccccc32)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
The InChIKey is JAGHEPPPNYDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-2-15-13-16-7-9(14)12(18-13)19-8-17-10-5-3-4-6-11(10)19/h3-8H,2H2,1H3,(H,15,16,18).
What are the key properties of 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine?
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine has a molecular weight of 273.73 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80853710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).