6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C12H22N6OS — CID 106327513

IUPAC6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCN2CCSCC2)n1
InChIInChI=1S/C12H22N6OS/c1-9(2)19-12-16-10(13)15-11(17-12)14-3-4-18-5-7-20-8-6-18/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyIXMUFKICSKIHTP-UHFFFAOYSA-N
MW298.42 g/mol
LogP0.70
Rot. Bonds6

About 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 106327513) has the molecular formula C12H22N6OS and a molecular weight of 298.42 g/mol. Its IUPAC name is 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID106327513
Molecular FormulaC12H22N6OS
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Name6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCN2CCSCC2)n1
InChIInChI=1S/C12H22N6OS/c1-9(2)19-12-16-10(13)15-11(17-12)14-3-4-18-5-7-20-8-6-18/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyIXMUFKICSKIHTP-UHFFFAOYSA-N
XLogP0.70
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830703
4-N-ethyl-6-propan-2-yloxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803986
2-N-(2-cyclopropylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847314
2-N-(4-methylpentyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80831552
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721
4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 106327660
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
2-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 106106863
6-propan-2-yloxy-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106433948
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-cyclopropylpropanamide
CID 80848551

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 106327513) is 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCN2CCSCC2)n1.
What is the InChIKey of 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IXMUFKICSKIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OS/c1-9(2)19-12-16-10(13)15-11(17-12)14-3-4-18-5-7-20-8-6-18/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 298.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-2-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106327513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).