N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H17N5OS — CID 102838573

IUPACN-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2ccsc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N5OS/c1-9-10(3-8-20-9)11-15-12(14-2)17-13(16-11)18-4-6-19-7-5-18/h3,8H,4-7H2,1-2H3,(H,14,15,16,17)
InChIKeyPFFBGPZLQVQVAD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.79
Rot. Bonds3

About N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 102838573) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID102838573
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(-c2ccsc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N5OS/c1-9-10(3-8-20-9)11-15-12(14-2)17-13(16-11)18-4-6-19-7-5-18/h3,8H,4-7H2,1-2H3,(H,14,15,16,17)
InChIKeyPFFBGPZLQVQVAD-UHFFFAOYSA-N
XLogP1.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-(2-methylthiophen-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102838375
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80820653
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
CID 18343895
CID 18343895
4-N-methyl-6-morpholin-4-yl-2-N-(oxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 80853559
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
[1-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80777418
N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773892

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 102838573) is N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(-c2ccsc2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is PFFBGPZLQVQVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-10(3-8-20-9)11-15-12(14-2)17-13(16-11)18-4-6-19-7-5-18/h3,8H,4-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylthiophen-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102838573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).