N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine

C11H15N5OS2 — CID 9497608

IUPACN,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine
SMILESCSc1nnc(CSc2cc(C)nc(N(C)C)n2)o1
InChIInChI=1S/C11H15N5OS2/c1-7-5-9(13-10(12-7)16(2)3)19-6-8-14-15-11(17-8)18-4/h5H,6H2,1-4H3
InChIKeyUURAIUXOVVUCKD-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.25
Rot. Bonds5

About N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine

N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine (PubChem CID 9497608) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine
PubChem CID9497608
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC NameN,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine
SMILESCSc1nnc(CSc2cc(C)nc(N(C)C)n2)o1
InChIInChI=1S/C11H15N5OS2/c1-7-5-9(13-10(12-7)16(2)3)19-6-8-14-15-11(17-8)18-4/h5H,6H2,1-4H3
InChIKeyUURAIUXOVVUCKD-UHFFFAOYSA-N
XLogP2.25
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine (CID 9497608) is N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine is CSc1nnc(CSc2cc(C)nc(N(C)C)n2)o1.
What is the InChIKey of N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine?
The InChIKey is UURAIUXOVVUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-7-5-9(13-10(12-7)16(2)3)19-6-8-14-15-11(17-8)18-4/h5H,6H2,1-4H3.
What are the key properties of N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 9497608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).