phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol

C11H14N2O — CID 11084652

IUPACphenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol
SMILESOC(C1=NCCCN1)c1ccccc1
InChIInChI=1S/C11H14N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h1-3,5-6,10,14H,4,7-8H2,(H,12,13)
InChIKeyQGDYDKBVTMGYTE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.11
Rot. Bonds2

About phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol

phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol (PubChem CID 11084652) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol.

Molecular Properties

Compound Namephenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol
PubChem CID11084652
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Namephenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol
SMILESOC(C1=NCCCN1)c1ccccc1
InChIInChI=1S/C11H14N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h1-3,5-6,10,14H,4,7-8H2,(H,12,13)
InChIKeyQGDYDKBVTMGYTE-UHFFFAOYSA-N
XLogP1.11
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-((Ethylamino)methyl)benzenemethanol
CID 95618
Acetamidine, N,N'-dipropyl-2-ethoxy-2-phenyl-
CID 47203
3,4,5,6-Tetrahydro-5,5-dimethyl-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
CID 118064
5-Pyrimidinol, 1,4,5,6-tetrahydro-5-phenyl-, monohydrochloride
CID 3087473
2-Hydroxy-2-phenylethanimidamide
CID 32379
2-Allylamino-1-phenyl-ethanol
CID 292554
4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine
CID 36378
2-Imidazoline, 2-(alpha-propoxybenzyl)-
CID 36386
3,4,5,6-Tetrahydro-5,5-diethyl-2-(alpha-ethoxybenzyl)pyrimidine
CID 118037
3,4,5,6-Tetrahydro-2-(alpha-ethoxybenzyl)-5-methoxypyrimidine
CID 118044
3,4,5,6-Tetrahydro-2-(alpha-ethoxybenzyl)pyrimidine
CID 118046
3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
CID 118051

Frequently Asked Questions

What is the IUPAC name of phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol?
The IUPAC name of phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol (CID 11084652) is phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol.
What is the SMILES notation for phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol?
The canonical SMILES for phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol is OC(C1=NCCCN1)c1ccccc1.
What is the InChIKey of phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol?
The InChIKey is QGDYDKBVTMGYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h1-3,5-6,10,14H,4,7-8H2,(H,12,13).
What are the key properties of phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol?
phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol has a molecular weight of 190.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,4,5,6-tetrahydropyrimidin-2-yl)methanol is sourced from PubChem (CID 11084652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).