6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine

C15H17N5 — CID 80853057

IUPAC6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H17N5/c1-4-11-14(16)17-7-18-15(11)20-8-19-12-5-9(2)10(3)6-13(12)20/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyAEEZTCXVXUUDFW-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.58
Rot. Bonds2

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

6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine (PubChem CID 80853057) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine
PubChem CID80853057
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H17N5/c1-4-11-14(16)17-7-18-15(11)20-8-19-12-5-9(2)10(3)6-13(12)20/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyAEEZTCXVXUUDFW-UHFFFAOYSA-N
XLogP2.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine (CID 80853057) is 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1-n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine?
The InChIKey is AEEZTCXVXUUDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-11-14(16)17-7-18-15(11)20-8-19-12-5-9(2)10(3)6-13(12)20/h5-8H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine?
6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.58, 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)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80853057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).