5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C9H13ClN4OS — CID 166128964

IUPAC5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(Cl)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C9H13ClN4OS/c1-6-12-8(11)7(10)9(13-6)14-2-4-16(15)5-3-14/h2-5H2,1H3,(H2,11,12,13)
InChIKeyWNRVSBHVQYJGAB-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.59
Rot. Bonds1

About 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 166128964) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID166128964
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCc1nc(N)c(Cl)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C9H13ClN4OS/c1-6-12-8(11)7(10)9(13-6)14-2-4-16(15)5-3-14/h2-5H2,1H3,(H2,11,12,13)
InChIKeyWNRVSBHVQYJGAB-UHFFFAOYSA-N
XLogP0.59
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 166128964) is 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is Cc1nc(N)c(Cl)c(N2CCS(=O)CC2)n1.
What is the InChIKey of 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is WNRVSBHVQYJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-6-12-8(11)7(10)9(13-6)14-2-4-16(15)5-3-14/h2-5H2,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 260.75 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 166128964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).