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

C14H15N5 — CID 80853780

IUPAC6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-n2cnc3cc(C)c(C)cc32)ncn1
InChIInChI=1S/C14H15N5/c1-9-4-11-12(5-10(9)2)19(8-18-11)14-6-13(15-3)16-7-17-14/h4-8H,1-3H3,(H,15,16,17)
InChIKeyYURMTVWTBXZCFG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.47
Rot. Bonds2

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

6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 80853780) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine
PubChem CID80853780
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-n2cnc3cc(C)c(C)cc32)ncn1
InChIInChI=1S/C14H15N5/c1-9-4-11-12(5-10(9)2)19(8-18-11)14-6-13(15-3)16-7-17-14/h4-8H,1-3H3,(H,15,16,17)
InChIKeyYURMTVWTBXZCFG-UHFFFAOYSA-N
XLogP2.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(5,6-dimethylbenzimidazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900481
4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
CID 80901487
1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62293983
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
2-(5,6-dimethylbenzimidazol-1-yl)quinoline
CID 17411926
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
1-[6-(chloromethyl)pyridazin-3-yl]-5,6-dimethylbenzimidazole
CID 61257451
4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
CID 112726059
6-(5,6-dimethylbenzimidazol-1-yl)pyrazine-2-carboxylic acid
CID 66455454
6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80853526
[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80902137
1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
CID 134862242

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine (CID 80853780) is 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine is CNc1cc(-n2cnc3cc(C)c(C)cc32)ncn1.
What is the InChIKey of 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is YURMTVWTBXZCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-4-11-12(5-10(9)2)19(8-18-11)14-6-13(15-3)16-7-17-14/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine?
6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80853780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).