N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C12H20N4OS — CID 80805279

IUPACN,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCS(=O)CC2)c1CC
InChIInChI=1S/C12H20N4OS/c1-3-10-11(13-4-2)14-9-15-12(10)16-5-7-18(17)8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyMOLFRLUKUFXUHE-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.04
Rot. Bonds4

About N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 80805279) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID80805279
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCS(=O)CC2)c1CC
InChIInChI=1S/C12H20N4OS/c1-3-10-11(13-4-2)14-9-15-12(10)16-5-7-18(17)8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyMOLFRLUKUFXUHE-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80803428
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
CID 107460210
N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80833870
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823670
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
CID 80825609
6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80767440

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 80805279) is N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCS(=O)CC2)c1CC.
What is the InChIKey of N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is MOLFRLUKUFXUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-10-11(13-4-2)14-9-15-12(10)16-5-7-18(17)8-6-16/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 268.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80805279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).