6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one

C21H23N3O3 — CID 170763377

IUPAC6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
SMILESCc1cc(OCc2ncccn2)cc(=O)n1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H23N3O3/c1-15(2)27-18-7-5-17(6-8-18)13-24-16(3)11-19(12-21(24)25)26-14-20-22-9-4-10-23-20/h4-12,15H,13-14H2,1-3H3
InChIKeyQHILQGRTLSDEIY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.36
Rot. Bonds7

About 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one

6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one (PubChem CID 170763377) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
PubChem CID170763377
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
SMILESCc1cc(OCc2ncccn2)cc(=O)n1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H23N3O3/c1-15(2)27-18-7-5-17(6-8-18)13-24-16(3)11-19(12-21(24)25)26-14-20-22-9-4-10-23-20/h4-12,15H,13-14H2,1-3H3
InChIKeyQHILQGRTLSDEIY-UHFFFAOYSA-N
XLogP3.36
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The IUPAC name of 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one (CID 170763377) is 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The canonical SMILES for 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one is Cc1cc(OCc2ncccn2)cc(=O)n1Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
The InChIKey is QHILQGRTLSDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(2)27-18-7-5-17(6-8-18)13-24-16(3)11-19(12-21(24)25)26-14-20-22-9-4-10-23-20/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one?
6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-4-(pyrimidin-2-ylmethoxy)pyridin-2-one is sourced from PubChem (CID 170763377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).