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

C16H23N5O2 — CID 54768081

IUPAC10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCCCN3C2CCCC2)n(C)c1=O
InChIInChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3
InChIKeyZGZDEIPGKCRDQM-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.98
Rot. Bonds1

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

10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione (PubChem CID 54768081) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione.

Molecular Properties

Compound Name10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
PubChem CID54768081
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCCCN3C2CCCC2)n(C)c1=O
InChIInChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3
InChIKeyZGZDEIPGKCRDQM-UHFFFAOYSA-N
XLogP0.98
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
The IUPAC name of 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione (CID 54768081) is 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione.
What is the SMILES notation for 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
The canonical SMILES for 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione is Cn1c(=O)c2c(nc3n2CCCCN3C2CCCC2)n(C)c1=O.
What is the InChIKey of 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
The InChIKey is ZGZDEIPGKCRDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3.
What are the key properties of 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione?
10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopentyl-1,3-dimethyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione is sourced from PubChem (CID 54768081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).