(2,4-dichloropyrimidin-5-yl)-phenylmethanol

C11H8Cl2N2O — CID 15053973

IUPAC(2,4-dichloropyrimidin-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cnc(Cl)nc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H
InChIKeyPEBHDUCCKONWJE-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.87
Rot. Bonds2

About (2,4-dichloropyrimidin-5-yl)-phenylmethanol

(2,4-dichloropyrimidin-5-yl)-phenylmethanol (PubChem CID 15053973) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (2,4-dichloropyrimidin-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(2,4-dichloropyrimidin-5-yl)-phenylmethanol
PubChem CID15053973
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(2,4-dichloropyrimidin-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cnc(Cl)nc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H
InChIKeyPEBHDUCCKONWJE-UHFFFAOYSA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dichloropyrimidin-5-yl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
CID 59753866
phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol
CID 15053974
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol
CID 102546990
[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-phenylmethanol
CID 59517634
(2S)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-phenylethane-1,1-diol
CID 171776583
methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate
CID 21044322
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 79075229
(2,6-dimethyl-3-pyridinyl)-phenylmethanol
CID 115604798
(2-fluoro-3-pyridinyl)-phenylmethanol
CID 12711112
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloropyrimidin-5-yl)-phenylmethanol?
The IUPAC name of (2,4-dichloropyrimidin-5-yl)-phenylmethanol (CID 15053973) is (2,4-dichloropyrimidin-5-yl)-phenylmethanol.
What is the SMILES notation for (2,4-dichloropyrimidin-5-yl)-phenylmethanol?
The canonical SMILES for (2,4-dichloropyrimidin-5-yl)-phenylmethanol is OC(c1ccccc1)c1cnc(Cl)nc1Cl.
What is the InChIKey of (2,4-dichloropyrimidin-5-yl)-phenylmethanol?
The InChIKey is PEBHDUCCKONWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H.
What are the key properties of (2,4-dichloropyrimidin-5-yl)-phenylmethanol?
(2,4-dichloropyrimidin-5-yl)-phenylmethanol has a molecular weight of 255.10 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloropyrimidin-5-yl)-phenylmethanol is sourced from PubChem (CID 15053973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).