2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C18H21N3O3 — CID 134791971

IUPAC2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCOCC(=O)N1CCc2nc(C)nc(-c3ccc(OC)cc3)c2C1
InChIInChI=1S/C18H21N3O3/c1-12-19-16-8-9-21(17(22)11-23-2)10-15(16)18(20-12)13-4-6-14(24-3)7-5-13/h4-7H,8-11H2,1-3H3
InChIKeyOFURCGZQCOSCJO-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.99
Rot. Bonds4

About 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 134791971) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID134791971
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCOCC(=O)N1CCc2nc(C)nc(-c3ccc(OC)cc3)c2C1
InChIInChI=1S/C18H21N3O3/c1-12-19-16-8-9-21(17(22)11-23-2)10-15(16)18(20-12)13-4-6-14(24-3)7-5-13/h4-7H,8-11H2,1-3H3
InChIKeyOFURCGZQCOSCJO-UHFFFAOYSA-N
XLogP1.99
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one
CID 6914629
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647874
(2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647875
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647877
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-ethyl-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647883
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-diethyl-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647884
(2S,6R)-4-[7-(4-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 16736981
4-(4-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129525
N-(2,6-Bis(4-methoxyphenyl)pyrimidin-4-yl)acetamide
CID 50940948
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647870
(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 23647876

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 134791971) is 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is COCC(=O)N1CCc2nc(C)nc(-c3ccc(OC)cc3)c2C1.
What is the InChIKey of 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is OFURCGZQCOSCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-19-16-8-9-21(17(22)11-23-2)10-15(16)18(20-12)13-4-6-14(24-3)7-5-13/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 134791971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).