(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol

C12H11FN2O — CID 62490525

IUPAC(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)c2cncnc2)cc1F
InChIInChI=1S/C12H11FN2O/c1-8-2-3-9(4-11(8)13)12(16)10-5-14-7-15-6-10/h2-7,12,16H,1H3
InChIKeyROYZUPDMHINNLE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.01
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol

(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol (PubChem CID 62490525) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
PubChem CID62490525
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)c2cncnc2)cc1F
InChIInChI=1S/C12H11FN2O/c1-8-2-3-9(4-11(8)13)12(16)10-5-14-7-15-6-10/h2-7,12,16H,1H3
InChIKeyROYZUPDMHINNLE-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781666
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62491341
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674
(3,4-dimethylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 63893392
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128664
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781644

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol (CID 62490525) is (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol is Cc1ccc(C(O)c2cncnc2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is ROYZUPDMHINNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-2-3-9(4-11(8)13)12(16)10-5-14-7-15-6-10/h2-7,12,16H,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol?
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 218.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 62490525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).