(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol

C16H18N2O — CID 114601558

IUPAC(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cccc(C3CCC3)c2)n1
InChIInChI=1S/C16H18N2O/c1-11-17-9-8-15(18-11)16(19)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,16,19H,2,4-5H2,1H3
InChIKeyUXGBOXOVTYUMKI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds3

About (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol

(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol (PubChem CID 114601558) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol
PubChem CID114601558
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)c2cccc(C3CCC3)c2)n1
InChIInChI=1S/C16H18N2O/c1-11-17-9-8-15(18-11)16(19)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,16,19H,2,4-5H2,1H3
InChIKeyUXGBOXOVTYUMKI-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol (CID 114601558) is (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)c2cccc(C3CCC3)c2)n1.
What is the InChIKey of (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is UXGBOXOVTYUMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-17-9-8-15(18-11)16(19)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,16,19H,2,4-5H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol?
(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 114601558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).