3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol

C13H14ClN3O — CID 114552977

IUPAC3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1ncccn1
InChIInChI=1S/C13H14ClN3O/c14-11-5-2-1-4-9(11)10(8-15)12(18)13-16-6-3-7-17-13/h1-7,10,12,18H,8,15H2
InChIKeyGVPAZBSHAQBXAG-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol

3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol (PubChem CID 114552977) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
PubChem CID114552977
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1ncccn1
InChIInChI=1S/C13H14ClN3O/c14-11-5-2-1-4-9(11)10(8-15)12(18)13-16-6-3-7-17-13/h1-7,10,12,18H,8,15H2
InChIKeyGVPAZBSHAQBXAG-UHFFFAOYSA-N
XLogP1.91
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(2-chlorophenyl)-1-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

Related Compounds

3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
CID 106690371
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-2-(2-chlorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 114031467
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79807640
3-amino-2-(2-chlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65184409
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol (CID 114552977) is 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol is NCC(c1ccccc1Cl)C(O)c1ncccn1.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol?
The InChIKey is GVPAZBSHAQBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-5-2-1-4-9(11)10(8-15)12(18)13-16-6-3-7-17-13/h1-7,10,12,18H,8,15H2.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol?
3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol has a molecular weight of 263.73 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)-1-pyrimidin-2-ylpropan-1-ol is sourced from PubChem (CID 114552977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).