2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C11H16N4O2S — CID 80967868

IUPAC2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCS(=O)(=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C11H16N4O2S/c12-9-7-10(14-11(13-9)8-1-2-8)15-3-5-18(16,17)6-4-15/h7-8H,1-6H2,(H2,12,13,14)
InChIKeyKZJXDGGXVBTRCS-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.17
Rot. Bonds2

About 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 80967868) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID80967868
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCS(=O)(=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C11H16N4O2S/c12-9-7-10(14-11(13-9)8-1-2-8)15-3-5-18(16,17)6-4-15/h7-8H,1-6H2,(H2,12,13,14)
InChIKeyKZJXDGGXVBTRCS-UHFFFAOYSA-N
XLogP0.17
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 80967868) is 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is Nc1cc(N2CCS(=O)(=O)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is KZJXDGGXVBTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-9-7-10(14-11(13-9)8-1-2-8)15-3-5-18(16,17)6-4-15/h7-8H,1-6H2,(H2,12,13,14).
What are the key properties of 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 268.34 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80967868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).