10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione

C17H25N5O2 — CID 54768082

IUPAC10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCCCN3C2CCCCC2)n(C)c1=O
InChIInChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3
InChIKeyQOINXGOUPLMRDH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.37
Rot. Bonds1

About 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione

10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione (PubChem CID 54768082) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione.

Molecular Properties

Compound Name10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
PubChem CID54768082
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCCCN3C2CCCCC2)n(C)c1=O
InChIInChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3
InChIKeyQOINXGOUPLMRDH-UHFFFAOYSA-N
XLogP1.37
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
The IUPAC name of 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione (CID 54768082) is 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione.
What is the SMILES notation for 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
The canonical SMILES for 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione is Cn1c(=O)c2c(nc3n2CCCCN3C2CCCCC2)n(C)c1=O.
What is the InChIKey of 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
The InChIKey is QOINXGOUPLMRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3.
What are the key properties of 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione is sourced from PubChem (CID 54768082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).