3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide

C22H23N5O — CID 71737966

IUPAC3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cccc(N3Cc4cnc(N)nc4C3)c2)c1
InChIInChI=1S/C22H23N5O/c1-14(2)15-5-3-7-18(9-15)25-21(28)16-6-4-8-19(10-16)27-12-17-11-24-22(23)26-20(17)13-27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H2,23,24,26)
InChIKeyWZBZLOZBQAAWKB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.95
Rot. Bonds4

About 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide

3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 71737966) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
PubChem CID71737966
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cccc(N3Cc4cnc(N)nc4C3)c2)c1
InChIInChI=1S/C22H23N5O/c1-14(2)15-5-3-7-18(9-15)25-21(28)16-6-4-8-19(10-16)27-12-17-11-24-22(23)26-20(17)13-27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H2,23,24,26)
InChIKeyWZBZLOZBQAAWKB-UHFFFAOYSA-N
XLogP3.95
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide
CID 86695862
3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide
CID 71738986
methyl 2-[[7-[3-[(3-propan-2-ylphenyl)carbamoyl]phenyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonyl]amino]acetate
CID 71736346
6-(2-methanethioyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 129157862
ethyl 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoate
CID 86695814
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
N-(3-propan-2-ylphenyl)-1H-indazole-6-carboxamide
CID 60715255
N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
CID 11546872
5-chloro-6-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62243463
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
N-[4-methyl-3-[2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-pyrrolidin-1-ylbenzamide
CID 71183755
3-[(3-propan-2-ylphenyl)carbamothioylamino]benzamide
CID 53365173

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide (CID 71737966) is 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2cccc(N3Cc4cnc(N)nc4C3)c2)c1.
What is the InChIKey of 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is WZBZLOZBQAAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14(2)15-5-3-7-18(9-15)25-21(28)16-6-4-8-19(10-16)27-12-17-11-24-22(23)26-20(17)13-27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H2,23,24,26).
What are the key properties of 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide?
3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 71737966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).