N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C10H16N4OS — CID 80805027

IUPACN,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCS(=O)CC2)nc(C)n1
InChIInChI=1S/C10H16N4OS/c1-8-12-9(11-2)7-10(13-8)14-3-5-16(15)6-4-14/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySBZZXNJLGOYWDD-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.40
Rot. Bonds2

About N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 80805027) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID80805027
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCS(=O)CC2)nc(C)n1
InChIInChI=1S/C10H16N4OS/c1-8-12-9(11-2)7-10(13-8)14-3-5-16(15)6-4-14/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeySBZZXNJLGOYWDD-UHFFFAOYSA-N
XLogP0.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80804466
4-(2-chloro-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 62482400
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80822413
N,2-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80935088
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
6-(3-methoxypyrrolidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 103541803
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 13393629
4-(2-butan-2-yl-6-methylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 138047547
N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 113323710
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 80805027) is N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is CNc1cc(N2CCS(=O)CC2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is SBZZXNJLGOYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-8-12-9(11-2)7-10(13-8)14-3-5-16(15)6-4-14/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 240.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80805027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).