2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone

C19H24N4O — CID 56759694

IUPAC2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
SMILESCCc1ncc2c(n1)CN(C(=O)C(c1cccc(C)c1)N(C)C)C2
InChIInChI=1S/C19H24N4O/c1-5-17-20-10-15-11-23(12-16(15)21-17)19(24)18(22(3)4)14-8-6-7-13(2)9-14/h6-10,18H,5,11-12H2,1-4H3
InChIKeyLIVQHXPXOMSXAB-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.49
Rot. Bonds4

About 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone

2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone (PubChem CID 56759694) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
PubChem CID56759694
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
SMILESCCc1ncc2c(n1)CN(C(=O)C(c1cccc(C)c1)N(C)C)C2
InChIInChI=1S/C19H24N4O/c1-5-17-20-10-15-11-23(12-16(15)21-17)19(24)18(22(3)4)14-8-6-7-13(2)9-14/h6-10,18H,5,11-12H2,1-4H3
InChIKeyLIVQHXPXOMSXAB-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one
CID 56744309
2-(4-chlorophenyl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-methylbutan-1-one
CID 56741223
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
(2S)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrazol-1-ylbutan-1-one
CID 95221648
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
CID 56743916
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
2-(dimethylamino)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 72881733
(3R)-3-[2-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-6-methyl-1,3-dihydroindol-2-one
CID 95230911
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
CID 56754940
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
CID 95719715
1-butyl-4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 97123892

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone (CID 56759694) is 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone is CCc1ncc2c(n1)CN(C(=O)C(c1cccc(C)c1)N(C)C)C2.
What is the InChIKey of 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is LIVQHXPXOMSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-5-17-20-10-15-11-23(12-16(15)21-17)19(24)18(22(3)4)14-8-6-7-13(2)9-14/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone?
2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 56759694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).