(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

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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).