N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C11H18N4OS2 — CID 80804466

IUPACN-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCS(=O)CC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS2/c1-3-12-9-8-10(14-11(13-9)17-2)15-4-6-18(16)7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyRUFPSKBUOIFBSM-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.20
Rot. Bonds4

About N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 80804466) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID80804466
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC NameN-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCS(=O)CC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS2/c1-3-12-9-8-10(14-11(13-9)17-2)15-4-6-18(16)7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyRUFPSKBUOIFBSM-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 80804466) is N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is CCNc1cc(N2CCS(=O)CC2)nc(SC)n1.
What is the InChIKey of N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is RUFPSKBUOIFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-3-12-9-8-10(14-11(13-9)17-2)15-4-6-18(16)7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 286.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80804466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).