2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine

C10H14N6OS — CID 30469742

IUPAC2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCCCc1noc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H14N6OS/c1-2-3-8-15-9(17-16-8)5-18-10-13-6(11)4-7(12)14-10/h4H,2-3,5H2,1H3,(H4,11,12,13,14)
InChIKeyBKTNNFAVWMCIJR-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.27
Rot. Bonds5

About 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 30469742) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID30469742
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCCCc1noc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H14N6OS/c1-2-3-8-15-9(17-16-8)5-18-10-13-6(11)4-7(12)14-10/h4H,2-3,5H2,1H3,(H4,11,12,13,14)
InChIKeyBKTNNFAVWMCIJR-UHFFFAOYSA-N
XLogP1.27
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine (CID 30469742) is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine is CCCc1noc(CSc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is BKTNNFAVWMCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-2-3-8-15-9(17-16-8)5-18-10-13-6(11)4-7(12)14-10/h4H,2-3,5H2,1H3,(H4,11,12,13,14).
What are the key properties of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 266.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 30469742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).