7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C16H17N5O3 — CID 3141408

IUPAC7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CC(O)CN3c2ccccc2)n(C)c1=O
InChIInChI=1S/C16H17N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-11(22)8-20(15(21)17-13)10-6-4-3-5-7-10/h3-7,11,22H,8-9H2,1-2H3
InChIKeyJIEJKSOIGFRBEX-UHFFFAOYSA-N
MW327.34 g/mol
LogP-0.05
Rot. Bonds1

About 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 3141408) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
PubChem CID3141408
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CC(O)CN3c2ccccc2)n(C)c1=O
InChIInChI=1S/C16H17N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-11(22)8-20(15(21)17-13)10-6-4-3-5-7-10/h3-7,11,22H,8-9H2,1-2H3
InChIKeyJIEJKSOIGFRBEX-UHFFFAOYSA-N
XLogP-0.05
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 3141408) is 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is Cn1c(=O)c2c(nc3n2CC(O)CN3c2ccccc2)n(C)c1=O.
What is the InChIKey of 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is JIEJKSOIGFRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-11(22)8-20(15(21)17-13)10-6-4-3-5-7-10/h3-7,11,22H,8-9H2,1-2H3.
What are the key properties of 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 327.34 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,3-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 3141408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).