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

C17H16N4O — CID 135960776

IUPAC2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
SMILESCNc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C17H16N4O/c1-19-12-8-6-11(7-9-12)14-10-20-17(18)21-16(14)13-4-2-3-5-15(13)22/h2-10,19,22H,1H3,(H2,18,20,21)
InChIKeyAIHLZNKSTMIBPW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

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

2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135960776) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
PubChem CID135960776
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol
SMILESCNc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C17H16N4O/c1-19-12-8-6-11(7-9-12)14-10-20-17(18)21-16(14)13-4-2-3-5-15(13)22/h2-10,19,22H,1H3,(H2,18,20,21)
InChIKeyAIHLZNKSTMIBPW-UHFFFAOYSA-N
XLogP3.14
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol (CID 135960776) is 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol is CNc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is AIHLZNKSTMIBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-19-12-8-6-11(7-9-12)14-10-20-17(18)21-16(14)13-4-2-3-5-15(13)22/h2-10,19,22H,1H3,(H2,18,20,21).
What are the key properties of 2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol?
2-[2-amino-5-[4-(methylamino)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 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-(methylamino)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).