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

C12H11ClN2O — CID 115781666

IUPAC(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1cc(C(O)c2cncnc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8-4-9(2-3-11(8)13)12(16)10-5-14-7-15-6-10/h2-7,12,16H,1H3
InChIKeyODADTMJUEJTLQX-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.52
Rot. Bonds2

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

(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol (PubChem CID 115781666) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
PubChem CID115781666
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1cc(C(O)c2cncnc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8-4-9(2-3-11(8)13)12(16)10-5-14-7-15-6-10/h2-7,12,16H,1H3
InChIKeyODADTMJUEJTLQX-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(4-chloro-3-methylphenyl)-(3,4-difluorophenyl)methanol
CID 113397251
(4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62491341
(4-chloro-3-methylphenyl)-(furan-3-yl)methanol
CID 91636310
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
(R)-(4-chloro-3-methylphenyl)-pyridin-2-ylmethanol
CID 97292925
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol (CID 115781666) is (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol is Cc1cc(C(O)c2cncnc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is ODADTMJUEJTLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-4-9(2-3-11(8)13)12(16)10-5-14-7-15-6-10/h2-7,12,16H,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol?
(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 234.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115781666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).