3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione

C14H20N4O2S — CID 69443416

IUPAC3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCCn1c(=O)c2c(N)snc2n(C2CCCC2)c1=O
InChIInChI=1S/C14H20N4O2S/c1-2-3-8-17-13(19)10-11(15)21-16-12(10)18(14(17)20)9-6-4-5-7-9/h9H,2-8,15H2,1H3
InChIKeyBDXNPULKZFGXGG-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione

3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 69443416) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID69443416
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCCCn1c(=O)c2c(N)snc2n(C2CCCC2)c1=O
InChIInChI=1S/C14H20N4O2S/c1-2-3-8-17-13(19)10-11(15)21-16-12(10)18(14(17)20)9-6-4-5-7-9/h9H,2-8,15H2,1H3
InChIKeyBDXNPULKZFGXGG-UHFFFAOYSA-N
XLogP2.12
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione (CID 69443416) is 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione is CCCCn1c(=O)c2c(N)snc2n(C2CCCC2)c1=O.
What is the InChIKey of 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is BDXNPULKZFGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-3-8-17-13(19)10-11(15)21-16-12(10)18(14(17)20)9-6-4-5-7-9/h9H,2-8,15H2,1H3.
What are the key properties of 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione?
3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 308.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-butyl-7-cyclopentyl-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 69443416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).