5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione

C19H24N6O3S — CID 47499886

IUPAC5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c(SCc3nnc(C4CC4)o3)nc(C(C)C)nc21
InChIInChI=1S/C19H24N6O3S/c1-5-8-25-15-13(18(26)24(4)19(25)27)17(21-14(20-15)10(2)3)29-9-12-22-23-16(28-12)11-6-7-11/h10-11H,5-9H2,1-4H3
InChIKeyAQDGOOBVYHUMQD-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.58
Rot. Bonds7

About 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione

5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 47499886) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID47499886
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c(SCc3nnc(C4CC4)o3)nc(C(C)C)nc21
InChIInChI=1S/C19H24N6O3S/c1-5-8-25-15-13(18(26)24(4)19(25)27)17(21-14(20-15)10(2)3)29-9-12-22-23-16(28-12)11-6-7-11/h10-11H,5-9H2,1-4H3
InChIKeyAQDGOOBVYHUMQD-UHFFFAOYSA-N
XLogP2.58
TPSA108.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 47499886) is 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione is CCCn1c(=O)n(C)c(=O)c2c(SCc3nnc(C4CC4)o3)nc(C(C)C)nc21.
What is the InChIKey of 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is AQDGOOBVYHUMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-5-8-25-15-13(18(26)24(4)19(25)27)17(21-14(20-15)10(2)3)29-9-12-22-23-16(28-12)11-6-7-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione?
5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 416.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 47499886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).