2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol

C16H14N4O — CID 135960803

IUPAC2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
SMILESNc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C16H14N4O/c17-11-7-5-10(6-8-11)13-9-19-16(18)20-15(13)12-3-1-2-4-14(12)21/h1-9,21H,17H2,(H2,18,19,20)
InChIKeyRKEAKNODGOCPKQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.68
Rot. Bonds2

About 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol (PubChem CID 135960803) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
PubChem CID135960803
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
SMILESNc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C16H14N4O/c17-11-7-5-10(6-8-11)13-9-19-16(18)20-15(13)12-3-1-2-4-14(12)21/h1-9,21H,17H2,(H2,18,19,20)
InChIKeyRKEAKNODGOCPKQ-UHFFFAOYSA-N
XLogP2.68
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol (CID 135960803) is 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol is Nc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol?
The InChIKey is RKEAKNODGOCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-11-7-5-10(6-8-11)13-9-19-16(18)20-15(13)12-3-1-2-4-14(12)21/h1-9,21H,17H2,(H2,18,19,20).
What are the key properties of 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol has a molecular weight of 278.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).