4-(2,4-diaminopteridin-7-yl)-2-methylphenol

C13H12N6O — CID 142881366

IUPAC4-(2,4-diaminopteridin-7-yl)-2-methylphenol
SMILESCc1cc(-c2cnc3c(N)nc(N)nc3n2)ccc1O
InChIInChI=1S/C13H12N6O/c1-6-4-7(2-3-9(6)20)8-5-16-10-11(14)18-13(15)19-12(10)17-8/h2-5,20H,1H3,(H4,14,15,17,18,19)
InChIKeyGXXAMMJILAWUEU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.27
Rot. Bonds1

About 4-(2,4-diaminopteridin-7-yl)-2-methylphenol

4-(2,4-diaminopteridin-7-yl)-2-methylphenol (PubChem CID 142881366) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(2,4-diaminopteridin-7-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(2,4-diaminopteridin-7-yl)-2-methylphenol
PubChem CID142881366
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-(2,4-diaminopteridin-7-yl)-2-methylphenol
SMILESCc1cc(-c2cnc3c(N)nc(N)nc3n2)ccc1O
InChIInChI=1S/C13H12N6O/c1-6-4-7(2-3-9(6)20)8-5-16-10-11(14)18-13(15)19-12(10)17-8/h2-5,20H,1H3,(H4,14,15,17,18,19)
InChIKeyGXXAMMJILAWUEU-UHFFFAOYSA-N
XLogP1.27
TPSA123.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(4-hydroxy-3-methylphenyl)pyrazin-2-yl]-2-methylphenol
CID 139631822
6-(3,4-dimethylphenyl)pteridine-2,4,7-triamine
CID 125484319
2-methyl-4-(4-methyl-2-pyridinyl)phenol
CID 136929186
4-(2-hydrazinyl-1,3-thiazol-4-yl)-2-methylphenol
CID 7172164
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
CID 11404593
5-(3,4-dimethylphenyl)-3-methoxypyrazin-2-amine
CID 178183758
4-methoxy-6-(4-methylphenyl)pteridin-2-amine
CID 141068601
2-methyl-6-(3-methylphenyl)pteridin-4-amine
CID 155363915
2-methyl-5-pyrido[2,3-b]pyrazin-3-ylaniline
CID 141174884
2-(3,4-dihydroxyphenyl)quinoxaline-6,7-diol
CID 136947775
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopteridin-7-yl)-2-methylphenol?
The IUPAC name of 4-(2,4-diaminopteridin-7-yl)-2-methylphenol (CID 142881366) is 4-(2,4-diaminopteridin-7-yl)-2-methylphenol.
What is the SMILES notation for 4-(2,4-diaminopteridin-7-yl)-2-methylphenol?
The canonical SMILES for 4-(2,4-diaminopteridin-7-yl)-2-methylphenol is Cc1cc(-c2cnc3c(N)nc(N)nc3n2)ccc1O.
What is the InChIKey of 4-(2,4-diaminopteridin-7-yl)-2-methylphenol?
The InChIKey is GXXAMMJILAWUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-6-4-7(2-3-9(6)20)8-5-16-10-11(14)18-13(15)19-12(10)17-8/h2-5,20H,1H3,(H4,14,15,17,18,19).
What are the key properties of 4-(2,4-diaminopteridin-7-yl)-2-methylphenol?
4-(2,4-diaminopteridin-7-yl)-2-methylphenol has a molecular weight of 268.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminopteridin-7-yl)-2-methylphenol is sourced from PubChem (CID 142881366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).