2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine

C15H22N6OS — CID 96832396

IUPAC2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc([C@@H]2CSCCN2Cc2nc(N)nc(N(C)C)n2)o1
InChIInChI=1S/C15H22N6OS/c1-10-4-5-12(22-10)11-9-23-7-6-21(11)8-13-17-14(16)19-15(18-13)20(2)3/h4-5,11H,6-9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyRYHYSAMWYNKULM-NSHDSACASA-N
MW334.45 g/mol
LogP1.71
Rot. Bonds4

About 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 96832396) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID96832396
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc([C@@H]2CSCCN2Cc2nc(N)nc(N(C)C)n2)o1
InChIInChI=1S/C15H22N6OS/c1-10-4-5-12(22-10)11-9-23-7-6-21(11)8-13-17-14(16)19-15(18-13)20(2)3/h4-5,11H,6-9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
InChIKeyRYHYSAMWYNKULM-NSHDSACASA-N
XLogP1.71
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 96832396) is 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine is Cc1ccc([C@@H]2CSCCN2Cc2nc(N)nc(N(C)C)n2)o1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RYHYSAMWYNKULM-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6OS/c1-10-4-5-12(22-10)11-9-23-7-6-21(11)8-13-17-14(16)19-15(18-13)20(2)3/h4-5,11H,6-9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 334.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 96832396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).