2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

C20H24N4O2 — CID 20932076

IUPAC2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-n2c(C)c(C)c3c(=O)n(CC(=O)NC(C)C)cnc32)cc1
InChIInChI=1S/C20H24N4O2/c1-12(2)22-17(25)10-23-11-21-19-18(20(23)26)14(4)15(5)24(19)16-8-6-13(3)7-9-16/h6-9,11-12H,10H2,1-5H3,(H,22,25)
InChIKeyBYWQNJZPPSJYSO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.64
Rot. Bonds4

About 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide

2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 20932076) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
PubChem CID20932076
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-n2c(C)c(C)c3c(=O)n(CC(=O)NC(C)C)cnc32)cc1
InChIInChI=1S/C20H24N4O2/c1-12(2)22-17(25)10-23-11-21-19-18(20(23)26)14(4)15(5)24(19)16-8-6-13(3)7-9-16/h6-9,11-12H,10H2,1-5H3,(H,22,25)
InChIKeyBYWQNJZPPSJYSO-UHFFFAOYSA-N
XLogP2.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
CID 53251797
6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53252274
6-((S)-7-Acryloylamino-5-aza-spiro[2.4]hept-5-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038240
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998
N-[3-[3-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
CID 168299514
N-cyclohexyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 852301
N-cyclohexyl-N,1-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 4523316
6-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251953
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-3-methyl-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57395273
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-methyl-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 58317600

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide (CID 20932076) is 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is Cc1ccc(-n2c(C)c(C)c3c(=O)n(CC(=O)NC(C)C)cnc32)cc1.
What is the InChIKey of 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is BYWQNJZPPSJYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)22-17(25)10-23-11-21-19-18(20(23)26)14(4)15(5)24(19)16-8-6-13(3)7-9-16/h6-9,11-12H,10H2,1-5H3,(H,22,25).
What are the key properties of 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide?
2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 352.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 20932076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).