2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide

C19H22N4O2 — CID 110430017

IUPAC2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)n2c(C)nc3[nH]c(C)cc3c2=O)c1
InChIInChI=1S/C19H22N4O2/c1-10-6-7-11(2)16(8-10)22-18(24)13(4)23-14(5)21-17-15(19(23)25)9-12(3)20-17/h6-9,13,20H,1-5H3,(H,22,24)
InChIKeyLTJPTDAJMJGAOL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds3

About 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide

2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 110430017) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID110430017
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)n2c(C)nc3[nH]c(C)cc3c2=O)c1
InChIInChI=1S/C19H22N4O2/c1-10-6-7-11(2)16(8-10)22-18(24)13(4)23-14(5)21-17-15(19(23)25)9-12(3)20-17/h6-9,13,20H,1-5H3,(H,22,24)
InChIKeyLTJPTDAJMJGAOL-UHFFFAOYSA-N
XLogP3.16
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 110429923
(2S)-2-[3-[acetyl(methyl)amino]-2-oxoquinoxalin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 95081159
N-(2,5-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537266
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429628
N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 110430059
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8726917
2-bromo-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 24710246
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183885
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide (CID 110430017) is 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)n2c(C)nc3[nH]c(C)cc3c2=O)c1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is LTJPTDAJMJGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-10-6-7-11(2)16(8-10)22-18(24)13(4)23-14(5)21-17-15(19(23)25)9-12(3)20-17/h6-9,13,20H,1-5H3,(H,22,24).
What are the key properties of 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide?
2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 110430017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).