4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine

C14H19N5O2S — CID 10639510

IUPAC4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine
SMILESCSc1nc(N2CCOCC2)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C14H19N5O2S/c1-22-14-16-12(18-4-7-20-8-5-18)11-13(17-14)19(9-15-11)10-3-2-6-21-10/h9-10H,2-8H2,1H3
InChIKeyKQTQRXPWILQTFQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.69
Rot. Bonds3

About 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine

4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine (PubChem CID 10639510) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine
PubChem CID10639510
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine
SMILESCSc1nc(N2CCOCC2)c2ncn(C3CCCO3)c2n1
InChIInChI=1S/C14H19N5O2S/c1-22-14-16-12(18-4-7-20-8-5-18)11-13(17-14)19(9-15-11)10-3-2-6-21-10/h9-10H,2-8H2,1H3
InChIKeyKQTQRXPWILQTFQ-UHFFFAOYSA-N
XLogP1.69
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine?
The IUPAC name of 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine (CID 10639510) is 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine?
The canonical SMILES for 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine is CSc1nc(N2CCOCC2)c2ncn(C3CCCO3)c2n1.
What is the InChIKey of 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine?
The InChIKey is KQTQRXPWILQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-22-14-16-12(18-4-7-20-8-5-18)11-13(17-14)19(9-15-11)10-3-2-6-21-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine?
4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine has a molecular weight of 321.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylsulfanyl-9-(oxolan-2-yl)purin-6-yl]morpholine is sourced from PubChem (CID 10639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).