N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide

C19H22N4O2 — CID 110430021

IUPACN-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(-c2ccccc2)nc2[nH]c(C)cc2c1=O
InChIInChI=1S/C19H22N4O2/c1-4-12(2)20-16(24)11-23-18(14-8-6-5-7-9-14)22-17-15(19(23)25)10-13(3)21-17/h5-10,12,21H,4,11H2,1-3H3,(H,20,24)
InChIKeyHDGCIQKOZAYVHJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.61
Rot. Bonds5

About N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide

N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 110430021) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID110430021
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(-c2ccccc2)nc2[nH]c(C)cc2c1=O
InChIInChI=1S/C19H22N4O2/c1-4-12(2)20-16(24)11-23-18(14-8-6-5-7-9-14)22-17-15(19(23)25)10-13(3)21-17/h5-10,12,21H,4,11H2,1-3H3,(H,20,24)
InChIKeyHDGCIQKOZAYVHJ-UHFFFAOYSA-N
XLogP2.61
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetate
CID 110429856
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide
CID 92902789
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29057460
2-(3-chlorophenyl)-3-(2,3-dihydroxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429996
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95185354
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
N-[(4-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 3055152
2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 110429628

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (CID 110430021) is N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is CCC(C)NC(=O)Cn1c(-c2ccccc2)nc2[nH]c(C)cc2c1=O.
What is the InChIKey of N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is HDGCIQKOZAYVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-12(2)20-16(24)11-23-18(14-8-6-5-7-9-14)22-17-15(19(23)25)10-13(3)21-17/h5-10,12,21H,4,11H2,1-3H3,(H,20,24).
What are the key properties of N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 110430021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).