5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione

C20H24N6O3S — CID 42948078

IUPAC5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCCCc1noc(C(C)Sc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)n1
InChIInChI=1S/C20H24N6O3S/c1-3-4-5-13-21-18(29-25-13)10(2)30-19-14-16(22-15(23-19)11-6-7-11)26(12-8-9-12)20(28)24-17(14)27/h10-12H,3-9H2,1-2H3,(H,24,27,28)
InChIKeyUUZDRXBHTUGJKI-UHFFFAOYSA-N
MW428.52 g/mol
LogP3.27
Rot. Bonds8

About 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione

5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 42948078) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID42948078
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCCCc1noc(C(C)Sc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)n1
InChIInChI=1S/C20H24N6O3S/c1-3-4-5-13-21-18(29-25-13)10(2)30-19-14-16(22-15(23-19)11-6-7-11)26(12-8-9-12)20(28)24-17(14)27/h10-12H,3-9H2,1-2H3,(H,24,27,28)
InChIKeyUUZDRXBHTUGJKI-UHFFFAOYSA-N
XLogP3.27
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 42948078) is 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione is CCCCc1noc(C(C)Sc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)n1.
What is the InChIKey of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is UUZDRXBHTUGJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-3-4-5-13-21-18(29-25-13)10(2)30-19-14-16(22-15(23-19)11-6-7-11)26(12-8-9-12)20(28)24-17(14)27/h10-12H,3-9H2,1-2H3,(H,24,27,28).
What are the key properties of 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione?
5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 428.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,7-dicyclopropylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42948078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).