7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one

C22H29N3O2 — CID 18386643

IUPAC7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESCCC(CC)N1C(=O)NCc2c1cc(C)nc2Oc1c(C)cc(C)cc1C
InChIInChI=1S/C22H29N3O2/c1-7-17(8-2)25-19-11-16(6)24-21(18(19)12-23-22(25)26)27-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12H2,1-6H3,(H,23,26)
InChIKeyZDZOPBMTDUHLEN-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.33
Rot. Bonds5

About 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one

7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 18386643) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
PubChem CID18386643
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESCCC(CC)N1C(=O)NCc2c1cc(C)nc2Oc1c(C)cc(C)cc1C
InChIInChI=1S/C22H29N3O2/c1-7-17(8-2)25-19-11-16(6)24-21(18(19)12-23-22(25)26)27-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12H2,1-6H3,(H,23,26)
InChIKeyZDZOPBMTDUHLEN-UHFFFAOYSA-N
XLogP5.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-pentan-3-yl-4-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 22253373
4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-yl-3H-pyrrolo[3,2-c]pyridin-2-one
CID 152744435
4-(3-deuteriopentan-3-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 56980443
5-(4-bromo-2,6-dimethylphenoxy)-4,7-dimethyl-1-pentan-3-yl-2,3-dihydropyrido[3,4-b]pyrazine
CID 18386657
5-(4-bromo-2,6-dimethylphenoxy)-4,7-dimethyl-1-pentan-3-yl-2,4-dihydropyrido[4,3-d][1,3]oxazine
CID 18386615
6-methyl-4-pentan-3-yl-8-(2,4,6-trimethylphenoxy)-1,7-naphthyridine
CID 18386670
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 18386617
6-methyl-1-pentan-3-yl-3-(2,4,6-trimethylphenoxy)-3H-pyrrolo[3,2-c]pyridin-2-one
CID 152744437
4-(2,6-dimethyl-4-propylphenoxy)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-c]pyridine
CID 22253378
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 86759589
N-(1-azidobutan-2-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
CID 22603175

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one (CID 18386643) is 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one is CCC(CC)N1C(=O)NCc2c1cc(C)nc2Oc1c(C)cc(C)cc1C.
What is the InChIKey of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is ZDZOPBMTDUHLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-7-17(8-2)25-19-11-16(6)24-21(18(19)12-23-22(25)26)27-20-14(4)9-13(3)10-15(20)5/h9-11,17H,7-8,12H2,1-6H3,(H,23,26).
What are the key properties of 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one?
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylphenoxy)-3,4-dihydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 18386643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).