5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

C19H18N6O — CID 151304160

IUPAC5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2c(N)nc(-n3c(C)nc4ccccc43)nc2N)cc1
InChIInChI=1S/C19H18N6O/c1-11-22-14-5-3-4-6-15(14)25(11)19-23-17(20)16(18(21)24-19)12-7-9-13(26-2)10-8-12/h3-10H,1-2H3,(H4,20,21,23,24)
InChIKeyODAUBPRNVFMKRQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.96
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (PubChem CID 151304160) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
PubChem CID151304160
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
SMILESCOc1ccc(-c2c(N)nc(-n3c(C)nc4ccccc43)nc2N)cc1
InChIInChI=1S/C19H18N6O/c1-11-22-14-5-3-4-6-15(14)25(11)19-23-17(20)16(18(21)24-19)12-7-9-13(26-2)10-8-12/h3-10H,1-2H3,(H4,20,21,23,24)
InChIKeyODAUBPRNVFMKRQ-UHFFFAOYSA-N
XLogP2.96
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine
CID 118094724
5-fluoro-4-N-(3-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90178193
1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole
CID 122548276
2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
CID 118101571
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
CID 106999991
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
CID 22507050
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (CID 151304160) is 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is COc1ccc(-c2c(N)nc(-n3c(C)nc4ccccc43)nc2N)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The InChIKey is ODAUBPRNVFMKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-22-14-5-3-4-6-15(14)25(11)19-23-17(20)16(18(21)24-19)12-7-9-13(26-2)10-8-12/h3-10H,1-2H3,(H4,20,21,23,24).
What are the key properties of 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine has a molecular weight of 346.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 151304160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).