3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol

C13H15N3O — CID 112754962

IUPAC3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
SMILESNc1cccc(-c2ncc(CCCO)cn2)c1
InChIInChI=1S/C13H15N3O/c14-12-5-1-4-11(7-12)13-15-8-10(9-16-13)3-2-6-17/h1,4-5,7-9,17H,2-3,6,14H2
InChIKeyDBHXKTIYDPXXNZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds4

About 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol

3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol (PubChem CID 112754962) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
PubChem CID112754962
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
SMILESNc1cccc(-c2ncc(CCCO)cn2)c1
InChIInChI=1S/C13H15N3O/c14-12-5-1-4-11(7-12)13-15-8-10(9-16-13)3-2-6-17/h1,4-5,7-9,17H,2-3,6,14H2
InChIKeyDBHXKTIYDPXXNZ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322383
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
3-(5-propan-2-ylpyrimidin-2-yl)aniline
CID 105466920
3-(2-phenylpyrimidin-5-yl)propan-1-amine
CID 83886057
3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid
CID 67224557
2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol
CID 117094665
(3-aminophenyl)methyl 2-phenylpyrimidine-5-carboxylate
CID 174549802
2-(3-bromophenyl)-5-decylpyrimidine
CID 18934324
2-amino-5-[3-(3-hydroxypropyl)phenyl]pyridine-3-carboxamide
CID 126676205
6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
CID 107703748

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol?
The IUPAC name of 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol (CID 112754962) is 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol?
The canonical SMILES for 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol is Nc1cccc(-c2ncc(CCCO)cn2)c1.
What is the InChIKey of 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol?
The InChIKey is DBHXKTIYDPXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-12-5-1-4-11(7-12)13-15-8-10(9-16-13)3-2-6-17/h1,4-5,7-9,17H,2-3,6,14H2.
What are the key properties of 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol?
3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol is sourced from PubChem (CID 112754962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).