3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol

C19H20N4O — CID 72845904

IUPAC3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C19H20N4O/c1-23(13-10-18(24)15-6-3-2-4-7-15)19-21-12-9-17(22-19)16-8-5-11-20-14-16/h2-9,11-12,14,18,24H,10,13H2,1H3
InChIKeyOKOIFRHDABWDCB-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.10
Rot. Bonds6

About 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol

3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 72845904) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID72845904
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C19H20N4O/c1-23(13-10-18(24)15-6-3-2-4-7-15)19-21-12-9-17(22-19)16-8-5-11-20-14-16/h2-9,11-12,14,18,24H,10,13H2,1H3
InChIKeyOKOIFRHDABWDCB-UHFFFAOYSA-N
XLogP3.10
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol (CID 72845904) is 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)c1nccc(-c2cccnc2)n1.
What is the InChIKey of 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is OKOIFRHDABWDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(13-10-18(24)15-6-3-2-4-7-15)19-21-12-9-17(22-19)16-8-5-11-20-14-16/h2-9,11-12,14,18,24H,10,13H2,1H3.
What are the key properties of 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol?
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 320.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 72845904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).