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

C19H18N6O — CID 19149292

IUPAC6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1
InChIInChI=1S/C19H18N6O/c1-2-26-14-9-7-13(8-10-14)24-18-17(20)19(22-11-21-18)25-12-23-15-5-3-4-6-16(15)25/h3-12H,2,20H2,1H3,(H,21,22,24)
InChIKeyHNAQMRMYCJKFFS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.54
Rot. Bonds5

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

6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19149292) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19149292
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1
InChIInChI=1S/C19H18N6O/c1-2-26-14-9-7-13(8-10-14)24-18-17(20)19(22-11-21-18)25-12-23-15-5-3-4-6-16(15)25/h3-12H,2,20H2,1H3,(H,21,22,24)
InChIKeyHNAQMRMYCJKFFS-UHFFFAOYSA-N
XLogP3.54
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
dimethyl 5-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547762
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19149882
methyl 2-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19146316
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
4-N-(4-ethoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137693
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
ethyl 4-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19149279

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine (CID 19149292) is 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine is CCOc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1.
What is the InChIKey of 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is HNAQMRMYCJKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-26-14-9-7-13(8-10-14)24-18-17(20)19(22-11-21-18)25-12-23-15-5-3-4-6-16(15)25/h3-12H,2,20H2,1H3,(H,21,22,24).
What are the key properties of 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine?
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 346.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19149292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).