2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol

C12H14N4O — CID 135874559

IUPAC2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol
SMILESNCCNc1ccnc(-c2ccccc2O)n1
InChIInChI=1S/C12H14N4O/c13-6-8-14-11-5-7-15-12(16-11)9-3-1-2-4-10(9)17/h1-5,7,17H,6,8,13H2,(H,14,15,16)
InChIKeyZSLBABNWPLYQML-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol

2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol (PubChem CID 135874559) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol
PubChem CID135874559
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol
SMILESNCCNc1ccnc(-c2ccccc2O)n1
InChIInChI=1S/C12H14N4O/c13-6-8-14-11-5-7-15-12(16-11)9-3-1-2-4-10(9)17/h1-5,7,17H,6,8,13H2,(H,14,15,16)
InChIKeyZSLBABNWPLYQML-UHFFFAOYSA-N
XLogP1.22
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-aminoethylamino)pyrimidin-2-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-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol (CID 135874559) is 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol is NCCNc1ccnc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol?
The InChIKey is ZSLBABNWPLYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-6-8-14-11-5-7-15-12(16-11)9-3-1-2-4-10(9)17/h1-5,7,17H,6,8,13H2,(H,14,15,16).
What are the key properties of 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol?
2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 135874559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).