6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine

C20H20N6O — CID 11314395

IUPAC6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2nc(-c3ccc(C)cc3)n(O)c2c1
InChIInChI=1S/C20H20N6O/c1-3-14-17(18(21)25-20(22)24-14)13-8-9-15-16(10-13)26(27)19(23-15)12-6-4-11(2)5-7-12/h4-10,27H,3H2,1-2H3,(H4,21,22,24,25)
InChIKeyNQRMKLUIYFXXTM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.43
Rot. Bonds3

About 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine

6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine (PubChem CID 11314395) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine
PubChem CID11314395
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2nc(-c3ccc(C)cc3)n(O)c2c1
InChIInChI=1S/C20H20N6O/c1-3-14-17(18(21)25-20(22)24-14)13-8-9-15-16(10-13)26(27)19(23-15)12-6-4-11(2)5-7-12/h4-10,27H,3H2,1-2H3,(H4,21,22,24,25)
InChIKeyNQRMKLUIYFXXTM-UHFFFAOYSA-N
XLogP3.43
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-chlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11417648
5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11452730
4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
CID 91426634
3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
CID 143260939
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
4-(2,4-diamino-6-ethylpyrimidin-5-yl)benzaldehyde
CID 86061883
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium
CID 143261168
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
6-ethyl-5-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-7-yl]pyrimidine-2,4-diamine
CID 23628221

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine (CID 11314395) is 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc2nc(-c3ccc(C)cc3)n(O)c2c1.
What is the InChIKey of 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is NQRMKLUIYFXXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-3-14-17(18(21)25-20(22)24-14)13-8-9-15-16(10-13)26(27)19(23-15)12-6-4-11(2)5-7-12/h4-10,27H,3H2,1-2H3,(H4,21,22,24,25).
What are the key properties of 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine?
6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 360.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11314395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).