(6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone

C19H17N3O4 — CID 155515946

IUPAC(6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3cncnc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4/c1-24-16-7-12(8-17(25-2)19(16)26-3)18(23)15-6-4-5-14(22-15)13-9-20-11-21-10-13/h4-11H,1-3H3
InChIKeyKEUDTBVMMOXOFY-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.80
Rot. Bonds6

About (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone

(6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155515946) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155515946
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3cncnc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4/c1-24-16-7-12(8-17(25-2)19(16)26-3)18(23)15-6-4-5-14(22-15)13-9-20-11-21-10-13/h4-11H,1-3H3
InChIKeyKEUDTBVMMOXOFY-UHFFFAOYSA-N
XLogP2.80
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone (CID 155515946) is (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3cncnc3)n2)cc(OC)c1OC.
What is the InChIKey of (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KEUDTBVMMOXOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-24-16-7-12(8-17(25-2)19(16)26-3)18(23)15-6-4-5-14(22-15)13-9-20-11-21-10-13/h4-11H,1-3H3.
What are the key properties of (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
(6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 351.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrimidin-5-yl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155515946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).