3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol

C13H15N3O — CID 91024005

IUPAC3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
SMILESNC(CCO)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C13H15N3O/c14-12(5-8-17)10-3-1-4-11(9-10)13-15-6-2-7-16-13/h1-4,6-7,9,12,17H,5,8,14H2
InChIKeyWZOBBNGKCFJCNF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.53
Rot. Bonds4

About 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol

3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol (PubChem CID 91024005) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
PubChem CID91024005
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
SMILESNC(CCO)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C13H15N3O/c14-12(5-8-17)10-3-1-4-11(9-10)13-15-6-2-7-16-13/h1-4,6-7,9,12,17H,5,8,14H2
InChIKeyWZOBBNGKCFJCNF-UHFFFAOYSA-N
XLogP1.53
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol (CID 91024005) is 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol is NC(CCO)c1cccc(-c2ncccn2)c1.
What is the InChIKey of 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol?
The InChIKey is WZOBBNGKCFJCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-12(5-8-17)10-3-1-4-11(9-10)13-15-6-2-7-16-13/h1-4,6-7,9,12,17H,5,8,14H2.
What are the key properties of 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol?
3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 91024005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).