4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine

C14H15N5 — CID 112726059

IUPAC4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-n2cnc3cc(C)c(C)cc32)nc(N)n1
InChIInChI=1S/C14H15N5/c1-8-4-11-12(5-9(8)2)19(7-16-11)13-6-10(3)17-14(15)18-13/h4-7H,1-3H3,(H2,15,17,18)
InChIKeyYRYGHEZFFVTXAC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.32
Rot. Bonds1

About 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine

4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112726059) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112726059
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-n2cnc3cc(C)c(C)cc32)nc(N)n1
InChIInChI=1S/C14H15N5/c1-8-4-11-12(5-9(8)2)19(7-16-11)13-6-10(3)17-14(15)18-13/h4-7H,1-3H3,(H2,15,17,18)
InChIKeyYRYGHEZFFVTXAC-UHFFFAOYSA-N
XLogP2.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
CID 80901487
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
[6-(5,6-dimethylbenzimidazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900481
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole
CID 80939782
2-(5,6-dimethylbenzimidazol-1-yl)quinoline
CID 17411926
5-(5,6-dimethylbenzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554356
[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80902137
6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine
CID 80853780
6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid
CID 66455454
2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine
CID 79883035
[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80900657

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine (CID 112726059) is 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(-n2cnc3cc(C)c(C)cc32)nc(N)n1.
What is the InChIKey of 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is YRYGHEZFFVTXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-8-4-11-12(5-9(8)2)19(7-16-11)13-6-10(3)17-14(15)18-13/h4-7H,1-3H3,(H2,15,17,18).
What are the key properties of 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine?
4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112726059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).