4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H18N6OS — CID 80805197

IUPAC4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCC2)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H18N6OS/c12-9-13-10(16-3-1-2-4-16)15-11(14-9)17-5-7-19(18)8-6-17/h1-8H2,(H2,12,13,14,15)
InChIKeyYZZZPXAXYLWDMG-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.38
Rot. Bonds2

About 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80805197) has the molecular formula C11H18N6OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80805197
Molecular FormulaC11H18N6OS
Molecular Weight282.37 g/mol
Exact Mass282.13
IUPAC Name4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCC2)nc(N2CCS(=O)CC2)n1
InChIInChI=1S/C11H18N6OS/c12-9-13-10(16-3-1-2-4-16)15-11(14-9)17-5-7-19(18)8-6-17/h1-8H2,(H2,12,13,14,15)
InChIKeyYZZZPXAXYLWDMG-UHFFFAOYSA-N
XLogP-0.38
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80804954
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-pyrrolidin-1-yl-6-(1,4-thiazepan-4-yl)-1,3,5-triazin-2-amine
CID 80795140
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80834390
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
CID 107541777
1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
CID 80868517
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80805197) is 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(N2CCCC2)nc(N2CCS(=O)CC2)n1.
What is the InChIKey of 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YZZZPXAXYLWDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6OS/c12-9-13-10(16-3-1-2-4-16)15-11(14-9)17-5-7-19(18)8-6-17/h1-8H2,(H2,12,13,14,15).
What are the key properties of 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.37 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80805197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).