2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol

C15H20N4O — CID 133335592

IUPAC2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCc1cc(NCC(CO)Cc2ccccn2)nc(C)n1
InChIInChI=1S/C15H20N4O/c1-11-7-15(19-12(2)18-11)17-9-13(10-20)8-14-5-3-4-6-16-14/h3-7,13,20H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyXPHDMJICTMWSQD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.75
Rot. Bonds6

About 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol

2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol (PubChem CID 133335592) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
PubChem CID133335592
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
SMILESCc1cc(NCC(CO)Cc2ccccn2)nc(C)n1
InChIInChI=1S/C15H20N4O/c1-11-7-15(19-12(2)18-11)17-9-13(10-20)8-14-5-3-4-6-16-14/h3-7,13,20H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyXPHDMJICTMWSQD-UHFFFAOYSA-N
XLogP1.75
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
2-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133475917
2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335566
2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335614
2-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824291
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
2-chloro-4-[[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]benzonitrile
CID 97018179
2-chloro-4-[[(2S)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]amino]benzonitrile
CID 97018178
2-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 111824278
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol (CID 133335592) is 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol is Cc1cc(NCC(CO)Cc2ccccn2)nc(C)n1.
What is the InChIKey of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is XPHDMJICTMWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-7-15(19-12(2)18-11)17-9-13(10-20)8-14-5-3-4-6-16-14/h3-7,13,20H,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol?
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 133335592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).