5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone

C16H17N3O — CID 90585350

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2Cc3cncnc3C2)cc1
InChIInChI=1S/C16H17N3O/c1-2-3-12-4-6-13(7-5-12)16(20)19-9-14-8-17-11-18-15(14)10-19/h4-8,11H,2-3,9-10H2,1H3
InChIKeyMMYNDUPSVZARDM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.59
Rot. Bonds3

About 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone (PubChem CID 90585350) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone
PubChem CID90585350
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2Cc3cncnc3C2)cc1
InChIInChI=1S/C16H17N3O/c1-2-3-12-4-6-13(7-5-12)16(20)19-9-14-8-17-11-18-15(14)10-19/h4-8,11H,2-3,9-10H2,1H3
InChIKeyMMYNDUPSVZARDM-UHFFFAOYSA-N
XLogP2.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butoxyphenyl)-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 71805809
methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 71805819
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 154742387
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
CID 124850749
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90585315
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone
CID 90585336
(4-chloro-3-nitrophenyl)-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 90585394
(2S)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylbutan-1-one
CID 97354955
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
CID 71805760

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone (CID 90585350) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2Cc3cncnc3C2)cc1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone?
The InChIKey is MMYNDUPSVZARDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-3-12-4-6-13(7-5-12)16(20)19-9-14-8-17-11-18-15(14)10-19/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-propylphenyl)methanone is sourced from PubChem (CID 90585350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).