4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine

C14H24N4O2S — CID 71871049

IUPAC4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC(C)(C)N2CCS(=O)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-11-9-12(20-4)17-13(16-11)15-10-14(2,3)18-5-7-21(19)8-6-18/h9H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyNRNMOIQHOLMCPZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.05
Rot. Bonds5

About 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine (PubChem CID 71871049) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine
PubChem CID71871049
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC(C)(C)N2CCS(=O)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-11-9-12(20-4)17-13(16-11)15-10-14(2,3)18-5-7-21(19)8-6-18/h9H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyNRNMOIQHOLMCPZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine with MolForge

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Related Compounds

1-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylethanone
CID 53612468
2-(Tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 56778671
N-ethyl-N-[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 53593751
4-Methoxy-6-[(3-methoxy-3-methylbutyl)sulfonylmethyl]-2-piperazin-1-ylpyrimidine
CID 177658948
4-methoxy-6-[[(2R)-oxolan-2-yl]methylsulfonylmethyl]-2-piperazin-1-ylpyrimidine
CID 177662649
4-Methoxy-6-(oxan-4-ylsulfonylmethyl)-2-piperazin-1-ylpyrimidine
CID 177663636
4-methoxy-6-[[(3S)-oxolan-3-yl]sulfonylmethyl]-2-piperazin-1-ylpyrimidine
CID 177663678
4-Methoxy-2-piperazin-1-yl-6-(4,4,4-trifluorobutylsulfonylmethyl)pyrimidine
CID 177666220
N-(1,1-dioxothian-4-yl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 154783261
2-(3,3-Dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 167874144
4-methoxy-6-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidin-2-amine
CID 167914826
N-(1-tert-butylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 146088773

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine (CID 71871049) is 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine is COc1cc(C)nc(NCC(C)(C)N2CCS(=O)CC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine?
The InChIKey is NRNMOIQHOLMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-9-12(20-4)17-13(16-11)15-10-14(2,3)18-5-7-21(19)8-6-18/h9H,5-8,10H2,1-4H3,(H,15,16,17).
What are the key properties of 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 71871049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).