[2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H20N2O5 — CID 166625982

IUPAC[2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnc(-c3ccc(C)c(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O5/c1-12-5-6-13(9-16(12)24)21-22-8-7-15(23-21)19(25)14-10-17(26-2)20(28-4)18(11-14)27-3/h5-11,24H,1-4H3
InChIKeyRKBVODGVHIYHML-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.41
Rot. Bonds6

About [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 166625982) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID166625982
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnc(-c3ccc(C)c(O)c3)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N2O5/c1-12-5-6-13(9-16(12)24)21-22-8-7-15(23-21)19(25)14-10-17(26-2)20(28-4)18(11-14)27-3/h5-11,24H,1-4H3
InChIKeyRKBVODGVHIYHML-UHFFFAOYSA-N
XLogP3.41
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 166625982) is [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccnc(-c3ccc(C)c(O)c3)n2)cc(OC)c1OC.
What is the InChIKey of [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RKBVODGVHIYHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-12-5-6-13(9-16(12)24)21-22-8-7-15(23-21)19(25)14-10-17(26-2)20(28-4)18(11-14)27-3/h5-11,24H,1-4H3.
What are the key properties of [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 380.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxy-4-methylphenyl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 166625982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).