2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol

C14H17N3O — CID 115630532

IUPAC2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCc1cncnc1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-14(10-18,13-5-3-2-4-6-13)17-9-12-7-15-11-16-8-12/h2-8,11,17-18H,9-10H2,1H3
InChIKeyIEUFWFNIWACHQY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.47
Rot. Bonds5

About 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol

2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol (PubChem CID 115630532) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
PubChem CID115630532
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCc1cncnc1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-14(10-18,13-5-3-2-4-6-13)17-9-12-7-15-11-16-8-12/h2-8,11,17-18H,9-10H2,1H3
InChIKeyIEUFWFNIWACHQY-UHFFFAOYSA-N
XLogP1.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
2-[(3-ethoxyphenyl)methylamino]-2-phenylpropan-1-ol
CID 115630491
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
CID 105057861
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113234125
2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
CID 105057817
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol?
The IUPAC name of 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol (CID 115630532) is 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol is CC(CO)(NCc1cncnc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol?
The InChIKey is IEUFWFNIWACHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(10-18,13-5-3-2-4-6-13)17-9-12-7-15-11-16-8-12/h2-8,11,17-18H,9-10H2,1H3.
What are the key properties of 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol?
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol is sourced from PubChem (CID 115630532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).