3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol

C19H18ClN3O — CID 134152268

IUPAC3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol
SMILESOCCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3O/c20-16-9-4-8-15(12-16)17-13-22-19(21-10-5-11-24)23-18(17)14-6-2-1-3-7-14/h1-4,6-9,12-13,24H,5,10-11H2,(H,21,22,23)
InChIKeyIGXACBFKCYPRCE-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.26
Rot. Bonds6

About 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol

3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol (PubChem CID 134152268) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol
PubChem CID134152268
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol
SMILESOCCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3O/c20-16-9-4-8-15(12-16)17-13-22-19(21-10-5-11-24)23-18(17)14-6-2-1-3-7-14/h1-4,6-9,12-13,24H,5,10-11H2,(H,21,22,23)
InChIKeyIGXACBFKCYPRCE-UHFFFAOYSA-N
XLogP4.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol (CID 134152268) is 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol is OCCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is IGXACBFKCYPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-16-9-4-8-15(12-16)17-13-22-19(21-10-5-11-24)23-18(17)14-6-2-1-3-7-14/h1-4,6-9,12-13,24H,5,10-11H2,(H,21,22,23).
What are the key properties of 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol?
3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 339.83 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 134152268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).