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

C13H13N5 — CID 80854162

IUPAC4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H13N5/c1-2-14-13-15-8-7-12(17-13)18-9-16-10-5-3-4-6-11(10)18/h3-9H,2H2,1H3,(H,14,15,17)
InChIKeyLITXJOAVAGORDF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.25
Rot. Bonds3

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

4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine (PubChem CID 80854162) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
PubChem CID80854162
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H13N5/c1-2-14-13-15-8-7-12(17-13)18-9-16-10-5-3-4-6-11(10)18/h3-9H,2H2,1H3,(H,14,15,17)
InChIKeyLITXJOAVAGORDF-UHFFFAOYSA-N
XLogP2.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 18375779
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
CID 18375438
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
CID 15549651
4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
CID 142035804
N-[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]propyl]-4-methoxybenzenesulfonamide
CID 170909423
N'-[4-(benzimidazol-1-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 129086145
4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 70111772
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
tert-butyl 4-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]imidazole-1-carboxylate
CID 70133251

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine (CID 80854162) is 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine is CCNc1nccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine?
The InChIKey is LITXJOAVAGORDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-14-13-15-8-7-12(17-13)18-9-16-10-5-3-4-6-11(10)18/h3-9H,2H2,1H3,(H,14,15,17).
What are the key properties of 4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.25, 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)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80854162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).