2-(2,4-diaminopyrimidin-5-yl)phenol

C10H10N4O — CID 155907015

IUPAC2-(2,4-diaminopyrimidin-5-yl)phenol
SMILESNc1ncc(-c2ccccc2O)c(N)n1
InChIInChI=1S/C10H10N4O/c11-9-7(5-13-10(12)14-9)6-3-1-2-4-8(6)15/h1-5,15H,(H4,11,12,13,14)
InChIKeyLDVOWYCFFXFLOY-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.01
Rot. Bonds1

About 2-(2,4-diaminopyrimidin-5-yl)phenol

2-(2,4-diaminopyrimidin-5-yl)phenol (PubChem CID 155907015) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-(2,4-diaminopyrimidin-5-yl)phenol.

Molecular Properties

Compound Name2-(2,4-diaminopyrimidin-5-yl)phenol
PubChem CID155907015
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-(2,4-diaminopyrimidin-5-yl)phenol
SMILESNc1ncc(-c2ccccc2O)c(N)n1
InChIInChI=1S/C10H10N4O/c11-9-7(5-13-10(12)14-9)6-3-1-2-4-8(6)15/h1-5,15H,(H4,11,12,13,14)
InChIKeyLDVOWYCFFXFLOY-UHFFFAOYSA-N
XLogP1.01
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diaminopyrimidin-5-yl)phenol?
The IUPAC name of 2-(2,4-diaminopyrimidin-5-yl)phenol (CID 155907015) is 2-(2,4-diaminopyrimidin-5-yl)phenol.
What is the SMILES notation for 2-(2,4-diaminopyrimidin-5-yl)phenol?
The canonical SMILES for 2-(2,4-diaminopyrimidin-5-yl)phenol is Nc1ncc(-c2ccccc2O)c(N)n1.
What is the InChIKey of 2-(2,4-diaminopyrimidin-5-yl)phenol?
The InChIKey is LDVOWYCFFXFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-9-7(5-13-10(12)14-9)6-3-1-2-4-8(6)15/h1-5,15H,(H4,11,12,13,14).
What are the key properties of 2-(2,4-diaminopyrimidin-5-yl)phenol?
2-(2,4-diaminopyrimidin-5-yl)phenol has a molecular weight of 202.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminopyrimidin-5-yl)phenol is sourced from PubChem (CID 155907015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).