N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine

C18H20N6O — CID 136704313

IUPACN-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine
SMILESCOc1ccc(-c2nc3c4[nH]cnc4ncn3c2NC(C)(C)C)cc1
InChIInChI=1S/C18H20N6O/c1-18(2,3)23-17-13(11-5-7-12(25-4)8-6-11)22-16-14-15(20-9-19-14)21-10-24(16)17/h5-10,23H,1-4H3,(H,19,20)
InChIKeyUDKNJYJVCHMYRP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.49
Rot. Bonds3

About N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine

N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine (PubChem CID 136704313) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine.

Molecular Properties

Compound NameN-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine
PubChem CID136704313
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine
SMILESCOc1ccc(-c2nc3c4[nH]cnc4ncn3c2NC(C)(C)C)cc1
InChIInChI=1S/C18H20N6O/c1-18(2,3)23-17-13(11-5-7-12(25-4)8-6-11)22-16-14-15(20-9-19-14)21-10-24(16)17/h5-10,23H,1-4H3,(H,19,20)
InChIKeyUDKNJYJVCHMYRP-UHFFFAOYSA-N
XLogP3.49
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
N-methyl-2-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)propan-2-amine
CID 135991280
N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 56925450
N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 23793822
6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one
CID 141173436
2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858000
N-tert-butyl-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 122214708
6-[4-(2-methoxyethoxy)phenyl]-7H-purine
CID 122559987
N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 56925544
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
3-methoxy-4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)aniline
CID 136829864
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine?
The IUPAC name of N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine (CID 136704313) is N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine.
What is the SMILES notation for N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine?
The canonical SMILES for N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine is COc1ccc(-c2nc3c4[nH]cnc4ncn3c2NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine?
The InChIKey is UDKNJYJVCHMYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2,3)23-17-13(11-5-7-12(25-4)8-6-11)22-16-14-15(20-9-19-14)21-10-24(16)17/h5-10,23H,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine?
N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine has a molecular weight of 336.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine is sourced from PubChem (CID 136704313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).