(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol

C14H16N2O3 — CID 115527861

IUPAC(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
SMILESCOc1ccc(C(O)c2ccnc(C)n2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-9-15-7-6-11(16-9)14(17)10-4-5-12(18-2)13(8-10)19-3/h4-8,14,17H,1-3H3
InChIKeyAIVROCUHGNCMHZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.88
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol

(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527861) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527861
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
SMILESCOc1ccc(C(O)c2ccnc(C)n2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-9-15-7-6-11(16-9)14(17)10-4-5-12(18-2)13(8-10)19-3/h4-8,14,17H,1-3H3
InChIKeyAIVROCUHGNCMHZ-UHFFFAOYSA-N
XLogP1.88
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
(3,4-dimethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722260
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
furan-3-yl-(2-methylpyrimidin-4-yl)methanol
CID 115528038
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527859
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
CID 63969426
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol (CID 115527861) is (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol is COc1ccc(C(O)c2ccnc(C)n2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is AIVROCUHGNCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-15-7-6-11(16-9)14(17)10-4-5-12(18-2)13(8-10)19-3/h4-8,14,17H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol?
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 260.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).