(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol

C15H17ClN2O5 — CID 15147552

IUPAC(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cnc(Cl)nc2OC)cc(OC)c1OC
InChIInChI=1S/C15H17ClN2O5/c1-20-10-5-8(6-11(21-2)13(10)22-3)12(19)9-7-17-15(16)18-14(9)23-4/h5-7,12,19H,1-4H3
InChIKeyPRNUCVXGCAVIRC-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.25
Rot. Bonds6

About (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol

(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 15147552) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID15147552
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2cnc(Cl)nc2OC)cc(OC)c1OC
InChIInChI=1S/C15H17ClN2O5/c1-20-10-5-8(6-11(21-2)13(10)22-3)12(19)9-7-17-15(16)18-14(9)23-4/h5-7,12,19H,1-4H3
InChIKeyPRNUCVXGCAVIRC-UHFFFAOYSA-N
XLogP2.25
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol 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

(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 114634559
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
CID 59753866
(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 102764533
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 62800710
N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830052
(1-ethylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 2890298
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 141403356
(2-chloro-3,4-dimethoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63895524

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol (CID 15147552) is (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)c2cnc(Cl)nc2OC)cc(OC)c1OC.
What is the InChIKey of (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is PRNUCVXGCAVIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c1-20-10-5-8(6-11(21-2)13(10)22-3)12(19)9-7-17-15(16)18-14(9)23-4/h5-7,12,19H,1-4H3.
What are the key properties of (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 340.76 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 15147552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).