5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine

C9H13ClN4O2S — CID 166128684

IUPAC5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)c(Cl)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H13ClN4O2S/c1-6-12-8(11)7(10)9(13-6)14-2-4-17(15,16)5-3-14/h2-5H2,1H3,(H2,11,12,13)
InChIKeyHSCXYMMRFBNNBO-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.26
Rot. Bonds1

About 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine

5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine (PubChem CID 166128684) has the molecular formula C9H13ClN4O2S and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
PubChem CID166128684
Molecular FormulaC9H13ClN4O2S
Molecular Weight276.75 g/mol
Exact Mass276.04
IUPAC Name5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)c(Cl)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C9H13ClN4O2S/c1-6-12-8(11)7(10)9(13-6)14-2-4-17(15,16)5-3-14/h2-5H2,1H3,(H2,11,12,13)
InChIKeyHSCXYMMRFBNNBO-UHFFFAOYSA-N
XLogP0.26
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine (CID 166128684) is 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine is Cc1nc(N)c(Cl)c(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
The InChIKey is HSCXYMMRFBNNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2S/c1-6-12-8(11)7(10)9(13-6)14-2-4-17(15,16)5-3-14/h2-5H2,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine?
5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine has a molecular weight of 276.75 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 166128684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).