3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione

C17H21N5O2 — CID 14100199

IUPAC3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCn1c(=O)c2c(NC)[nH]nc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C17H21N5O2/c1-3-10-22-16(23)13-14(18-2)19-20-15(13)21(17(22)24)11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyXYSCCEPAYAWJBD-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.58
Rot. Bonds6

About 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione

3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 14100199) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID14100199
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCn1c(=O)c2c(NC)[nH]nc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C17H21N5O2/c1-3-10-22-16(23)13-14(18-2)19-20-15(13)21(17(22)24)11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyXYSCCEPAYAWJBD-UHFFFAOYSA-N
XLogP1.58
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-benzyl-3-(2-phenylethyl)-1-propyl-7H-purine-2,6-dione
CID 18449569
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
8-benzyl-3-[2-(3-nitrophenyl)ethyl]-1-propyl-7H-purine-2,6-dione
CID 18449559
8-benzyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-propyl-7H-purine-2,6-dione
CID 18449552
6-ethyl-3-(2-phenylethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 59351643
3-[2-(4-fluorophenyl)ethyl]-7-oxido-1-propyl-8-(pyridin-2-ylmethyl)purine-2,6-dione
CID 87766991
3-(2-phenylethyl)-1,8-dipropyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911445
3-benzyl-8-(hydroxymethyl)-1-propyl-7H-purine-2,6-dione
CID 11438408
3-(3-methoxypropyl)-8-(3-phenylpropyl)-1-propyl-7H-purine-2,6-dione
CID 45267186
4-(2-phenylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 42885212
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
1-[(2-chlorophenyl)methyl]-5,6-dimethyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 15989060

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 14100199) is 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione is CCCn1c(=O)c2c(NC)[nH]nc2n(CCc2ccccc2)c1=O.
What is the InChIKey of 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is XYSCCEPAYAWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-10-22-16(23)13-14(18-2)19-20-15(13)21(17(22)24)11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 327.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-7-(2-phenylethyl)-5-propyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 14100199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).