4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

C13H24N6S — CID 80835693

IUPAC4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(C)C)nc(N2CCSCC2C)n1
InChIInChI=1S/C13H24N6S/c1-5-6-14-11-15-12(18(3)4)17-13(16-11)19-7-8-20-9-10(19)2/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyFBCGEWZSPHVNFQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.70
Rot. Bonds5

About 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80835693) has the molecular formula C13H24N6S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80835693
Molecular FormulaC13H24N6S
Molecular Weight296.44 g/mol
Exact Mass296.18
IUPAC Name4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(C)C)nc(N2CCSCC2C)n1
InChIInChI=1S/C13H24N6S/c1-5-6-14-11-15-12(18(3)4)17-13(16-11)19-7-8-20-9-10(19)2/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyFBCGEWZSPHVNFQ-UHFFFAOYSA-N
XLogP1.70
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 103065188
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835791
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
4-N,4-N-dimethyl-6-(1,4-oxazepan-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80822984
2-N,2-N-dimethyl-4-N-[(3-methylcyclopentyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 107415912
2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 80834827
6-(3,3-dimethylmorpholin-4-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779775
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80835693) is 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(N(C)C)nc(N2CCSCC2C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FBCGEWZSPHVNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6S/c1-5-6-14-11-15-12(18(3)4)17-13(16-11)19-7-8-20-9-10(19)2/h10H,5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).