5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine

C12H20N4OS — CID 80804882

IUPAC5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C12H20N4OS/c1-3-4-13-12-14-9-10(2)11(15-12)16-5-7-18(17)8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyUMBAFDBQHBNNON-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.18
Rot. Bonds4

About 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine

5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine (PubChem CID 80804882) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
PubChem CID80804882
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCS(=O)CC2)n1
InChIInChI=1S/C12H20N4OS/c1-3-4-13-12-14-9-10(2)11(15-12)16-5-7-18(17)8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyUMBAFDBQHBNNON-UHFFFAOYSA-N
XLogP1.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine (CID 80804882) is 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(N2CCS(=O)CC2)n1.
What is the InChIKey of 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
The InChIKey is UMBAFDBQHBNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-4-13-12-14-9-10(2)11(15-12)16-5-7-18(17)8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine?
5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine has a molecular weight of 268.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80804882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).