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

C15H19N3O — CID 46988524

IUPAC2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol
SMILESCc1cccc(-c2ncc(CNC(C)CO)cn2)c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-14(6-11)15-17-8-13(9-18-15)7-16-12(2)10-19/h3-6,8-9,12,16,19H,7,10H2,1-2H3
InChIKeySEMIFCOHTLDWNU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.92
Rot. Bonds5

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

2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol (PubChem CID 46988524) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol
PubChem CID46988524
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol
SMILESCc1cccc(-c2ncc(CNC(C)CO)cn2)c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-14(6-11)15-17-8-13(9-18-15)7-16-12(2)10-19/h3-6,8-9,12,16,19H,7,10H2,1-2H3
InChIKeySEMIFCOHTLDWNU-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol?
The IUPAC name of 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol (CID 46988524) is 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol is Cc1cccc(-c2ncc(CNC(C)CO)cn2)c1.
What is the InChIKey of 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol?
The InChIKey is SEMIFCOHTLDWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-3-5-14(6-11)15-17-8-13(9-18-15)7-16-12(2)10-19/h3-6,8-9,12,16,19H,7,10H2,1-2H3.
What are the key properties of 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol?
2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylphenyl)pyrimidin-5-yl]methylamino]propan-1-ol is sourced from PubChem (CID 46988524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).