4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine

C22H35N7O — CID 91436466

IUPAC4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine
SMILESCCOC1=NC(c2nc(C(C)(C)C)cn2C2=NC(NCC(C)C)N=CC2)C=NC1C
InChIInChI=1S/C22H35N7O/c1-8-30-20-15(4)24-12-16(26-20)19-27-17(22(5,6)7)13-29(19)18-9-10-23-21(28-18)25-11-14(2)3/h10,12-16,21,25H,8-9,11H2,1-7H3
InChIKeyXATALXIAGTXEET-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.38
Rot. Bonds5

About 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine

4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine (PubChem CID 91436466) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine
PubChem CID91436466
Molecular FormulaC22H35N7O
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC Name4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine
SMILESCCOC1=NC(c2nc(C(C)(C)C)cn2C2=NC(NCC(C)C)N=CC2)C=NC1C
InChIInChI=1S/C22H35N7O/c1-8-30-20-15(4)24-12-16(26-20)19-27-17(22(5,6)7)13-29(19)18-9-10-23-21(28-18)25-11-14(2)3/h10,12-16,21,25H,8-9,11H2,1-7H3
InChIKeyXATALXIAGTXEET-UHFFFAOYSA-N
XLogP3.38
TPSA88.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine?
The IUPAC name of 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine (CID 91436466) is 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine?
The canonical SMILES for 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine is CCOC1=NC(c2nc(C(C)(C)C)cn2C2=NC(NCC(C)C)N=CC2)C=NC1C.
What is the InChIKey of 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine?
The InChIKey is XATALXIAGTXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-8-30-20-15(4)24-12-16(26-20)19-27-17(22(5,6)7)13-29(19)18-9-10-23-21(28-18)25-11-14(2)3/h10,12-16,21,25H,8-9,11H2,1-7H3.
What are the key properties of 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine?
4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine has a molecular weight of 413.57 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tert-butyl-2-(6-ethoxy-5-methyl-2,5-dihydropyrazin-2-yl)imidazol-1-yl]-N-(2-methylpropyl)-2,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 91436466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).