6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine

C13H14N6 — CID 19135352

IUPAC6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(-n2cnc3ccccc32)c1N
InChIInChI=1S/C13H14N6/c1-2-15-12-11(14)13(17-7-16-12)19-8-18-9-5-3-4-6-10(9)19/h3-8H,2,14H2,1H3,(H,15,16,17)
InChIKeySDPJVGLXEHRLCP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.83
Rot. Bonds3

About 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine

6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine (PubChem CID 19135352) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
PubChem CID19135352
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(-n2cnc3ccccc32)c1N
InChIInChI=1S/C13H14N6/c1-2-15-12-11(14)13(17-7-16-12)19-8-18-9-5-3-4-6-10(9)19/h3-8H,2,14H2,1H3,(H,15,16,17)
InChIKeySDPJVGLXEHRLCP-UHFFFAOYSA-N
XLogP1.83
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine (CID 19135352) is 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine is CCNc1ncnc(-n2cnc3ccccc32)c1N.
What is the InChIKey of 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine?
The InChIKey is SDPJVGLXEHRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-15-12-11(14)13(17-7-16-12)19-8-18-9-5-3-4-6-10(9)19/h3-8H,2,14H2,1H3,(H,15,16,17).
What are the key properties of 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine?
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).