6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine

C17H16N8O — CID 171986786

IUPAC6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine
SMILESCOc1ccc(-c2nc3c(N)nc(N)nc3nc2-c2nccn2C)cc1
InChIInChI=1S/C17H16N8O/c1-25-8-7-20-16(25)12-11(9-3-5-10(26-2)6-4-9)21-13-14(18)23-17(19)24-15(13)22-12/h3-8H,1-2H3,(H4,18,19,22,23,24)
InChIKeyLGCNOCIUPYZANQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.66
Rot. Bonds3

About 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine

6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine (PubChem CID 171986786) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine
PubChem CID171986786
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine
SMILESCOc1ccc(-c2nc3c(N)nc(N)nc3nc2-c2nccn2C)cc1
InChIInChI=1S/C17H16N8O/c1-25-8-7-20-16(25)12-11(9-3-5-10(26-2)6-4-9)21-13-14(18)23-17(19)24-15(13)22-12/h3-8H,1-2H3,(H4,18,19,22,23,24)
InChIKeyLGCNOCIUPYZANQ-UHFFFAOYSA-N
XLogP1.66
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine (CID 171986786) is 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine is COc1ccc(-c2nc3c(N)nc(N)nc3nc2-c2nccn2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine?
The InChIKey is LGCNOCIUPYZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-25-8-7-20-16(25)12-11(9-3-5-10(26-2)6-4-9)21-13-14(18)23-17(19)24-15(13)22-12/h3-8H,1-2H3,(H4,18,19,22,23,24).
What are the key properties of 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine?
6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine has a molecular weight of 348.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7-(1-methylimidazol-2-yl)pteridine-2,4-diamine is sourced from PubChem (CID 171986786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).