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

C12H10N6O — CID 135610084

IUPAC4-(2,4-diaminopteridin-7-yl)phenol
SMILESNc1nc(N)c2ncc(-c3ccc(O)cc3)nc2n1
InChIInChI=1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)16-8(5-15-9)6-1-3-7(19)4-2-6/h1-5,19H,(H4,13,14,16,17,18)
InChIKeyFVZABFCAUBTPSL-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.96
Rot. Bonds1

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

4-(2,4-diaminopteridin-7-yl)phenol (PubChem CID 135610084) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(2,4-diaminopteridin-7-yl)phenol.

Molecular Properties

Compound Name4-(2,4-diaminopteridin-7-yl)phenol
PubChem CID135610084
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name4-(2,4-diaminopteridin-7-yl)phenol
SMILESNc1nc(N)c2ncc(-c3ccc(O)cc3)nc2n1
InChIInChI=1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)16-8(5-15-9)6-1-3-7(19)4-2-6/h1-5,19H,(H4,13,14,16,17,18)
InChIKeyFVZABFCAUBTPSL-UHFFFAOYSA-N
XLogP0.96
TPSA123.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopteridin-7-yl)phenol?
The IUPAC name of 4-(2,4-diaminopteridin-7-yl)phenol (CID 135610084) is 4-(2,4-diaminopteridin-7-yl)phenol.
What is the SMILES notation for 4-(2,4-diaminopteridin-7-yl)phenol?
The canonical SMILES for 4-(2,4-diaminopteridin-7-yl)phenol is Nc1nc(N)c2ncc(-c3ccc(O)cc3)nc2n1.
What is the InChIKey of 4-(2,4-diaminopteridin-7-yl)phenol?
The InChIKey is FVZABFCAUBTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)16-8(5-15-9)6-1-3-7(19)4-2-6/h1-5,19H,(H4,13,14,16,17,18).
What are the key properties of 4-(2,4-diaminopteridin-7-yl)phenol?
4-(2,4-diaminopteridin-7-yl)phenol has a molecular weight of 254.25 g/mol, XLogP of 0.96, 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)phenol is sourced from PubChem (CID 135610084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).