N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

C12H20N4O2S — CID 107765156

IUPACN-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(SC2CCOC2C)n1
InChIInChI=1S/C12H20N4O2S/c1-4-6-18-11-14-10(13-3)15-12(16-11)19-9-5-7-17-8(9)2/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyHPMYTGFNQFCNQW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.97
Rot. Bonds6

About N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 107765156) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID107765156
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(SC2CCOC2C)n1
InChIInChI=1S/C12H20N4O2S/c1-4-6-18-11-14-10(13-3)15-12(16-11)19-9-5-7-17-8(9)2/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyHPMYTGFNQFCNQW-UHFFFAOYSA-N
XLogP1.97
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107765081
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765210
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
2-N-(2,3-dimethylcyclopentyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80840526
5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
CID 107765044
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 107765156) is N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(SC2CCOC2C)n1.
What is the InChIKey of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HPMYTGFNQFCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-6-18-11-14-10(13-3)15-12(16-11)19-9-5-7-17-8(9)2/h8-9H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).