3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

C27H29N5O2 — CID 67960404

IUPAC3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)n1
InChIInChI=1S/C27H29N5O2/c1-16(2)26-29-13-11-23(31-26)24-14-22(10-12-28-24)32-20(6)18(4)25(19(5)27(32)33)34-15-21-9-7-8-17(3)30-21/h7-14,16H,15H2,1-6H3
InChIKeyMUGSNPCLLSBGFW-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.02
Rot. Bonds6

About 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67960404) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67960404
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)n1
InChIInChI=1S/C27H29N5O2/c1-16(2)26-29-13-11-23(31-26)24-14-22(10-12-28-24)32-20(6)18(4)25(19(5)27(32)33)34-15-21-9-7-8-17(3)30-21/h7-14,16H,15H2,1-6H3
InChIKeyMUGSNPCLLSBGFW-UHFFFAOYSA-N
XLogP5.02
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67960404) is 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cccc(COc2c(C)c(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)n1.
What is the InChIKey of 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is MUGSNPCLLSBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-16(2)26-29-13-11-23(31-26)24-14-22(10-12-28-24)32-20(6)18(4)25(19(5)27(32)33)34-15-21-9-7-8-17(3)30-21/h7-14,16H,15H2,1-6H3.
What are the key properties of 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 455.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-4-[(6-methyl-2-pyridinyl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67960404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).