N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine

C12H17N5 — CID 80857445

IUPACN-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-n2ccnc2CC)nc(C)n1
InChIInChI=1S/C12H17N5/c1-4-11-14-6-7-17(11)12-8-10(13-5-2)15-9(3)16-12/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyBOOMGBJFGSLDCN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine

N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 80857445) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
PubChem CID80857445
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-n2ccnc2CC)nc(C)n1
InChIInChI=1S/C12H17N5/c1-4-11-14-6-7-17(11)12-8-10(13-5-2)15-9(3)16-12/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyBOOMGBJFGSLDCN-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine (CID 80857445) is N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine is CCNc1cc(-n2ccnc2CC)nc(C)n1.
What is the InChIKey of N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is BOOMGBJFGSLDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-11-14-6-7-17(11)12-8-10(13-5-2)15-9(3)16-12/h6-8H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine?
N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80857445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).