N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide

C18H20N4O2 — CID 56748005

IUPACN-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
SMILESCC[C@@H](NC(C)=O)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C18H20N4O2/c1-3-15(20-12(2)23)18(24)22-10-14-9-19-17(21-16(14)11-22)13-7-5-4-6-8-13/h4-9,15H,3,10-11H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyOVHQGXJDWXNHJE-OAHLLOKOSA-N
MW324.38 g/mol
LogP1.90
Rot. Bonds4

About N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide

N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide (PubChem CID 56748005) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
PubChem CID56748005
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
SMILESCC[C@@H](NC(C)=O)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C18H20N4O2/c1-3-15(20-12(2)23)18(24)22-10-14-9-19-17(21-16(14)11-22)13-7-5-4-6-8-13/h4-9,15H,3,10-11H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyOVHQGXJDWXNHJE-OAHLLOKOSA-N
XLogP1.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 95205878
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
CID 95221109
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267
(4S)-4-acetamido-5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-5-oxopentanamide
CID 56739668
6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56740788
2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 72937112
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
N-(2-ethoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147239
(4-chloro-2-methoxyphenyl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56752349
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
CID 136983025
(2S)-1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxybutan-1-one
CID 95198538

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide (CID 56748005) is N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide is CC[C@@H](NC(C)=O)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1.
What is the InChIKey of N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide?
The InChIKey is OVHQGXJDWXNHJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-15(20-12(2)23)18(24)22-10-14-9-19-17(21-16(14)11-22)13-7-5-4-6-8-13/h4-9,15H,3,10-11H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide?
N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide is sourced from PubChem (CID 56748005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).