2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol

C16H22N4O2 — CID 175093389

IUPAC2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol
SMILESCC(CO)(NC(O)C(C)(N)c1ncccn1)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-15(11-21,12-7-4-3-5-8-12)20-14(22)16(2,17)13-18-9-6-10-19-13/h3-10,14,20-22H,11,17H2,1-2H3
InChIKeyWIZAHQBVHSMURI-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.47
Rot. Bonds6

About 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol

2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol (PubChem CID 175093389) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol
PubChem CID175093389
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol
SMILESCC(CO)(NC(O)C(C)(N)c1ncccn1)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-15(11-21,12-7-4-3-5-8-12)20-14(22)16(2,17)13-18-9-6-10-19-13/h3-10,14,20-22H,11,17H2,1-2H3
InChIKeyWIZAHQBVHSMURI-UHFFFAOYSA-N
XLogP0.47
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol 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-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol?
The IUPAC name of 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol (CID 175093389) is 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol.
What is the SMILES notation for 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol?
The canonical SMILES for 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol is CC(CO)(NC(O)C(C)(N)c1ncccn1)c1ccccc1.
What is the InChIKey of 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol?
The InChIKey is WIZAHQBVHSMURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-15(11-21,12-7-4-3-5-8-12)20-14(22)16(2,17)13-18-9-6-10-19-13/h3-10,14,20-22H,11,17H2,1-2H3.
What are the key properties of 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol?
2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol has a molecular weight of 302.38 g/mol, XLogP of 0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2-pyrimidin-2-ylpropan-1-ol is sourced from PubChem (CID 175093389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).