2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

C13H20N6OS — CID 106928502

IUPAC2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Sc2nc(C)co2)nc(N(CC)CC)n1
InChIInChI=1S/C13H20N6OS/c1-5-14-10-16-11(19(6-2)7-3)18-12(17-10)21-13-15-9(4)8-20-13/h8H,5-7H2,1-4H3,(H,14,16,17,18)
InChIKeyXKNPNQSRNQRRDR-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.60
Rot. Bonds7

About 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106928502) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID106928502
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Sc2nc(C)co2)nc(N(CC)CC)n1
InChIInChI=1S/C13H20N6OS/c1-5-14-10-16-11(19(6-2)7-3)18-12(17-10)21-13-15-9(4)8-20-13/h8H,5-7H2,1-4H3,(H,14,16,17,18)
InChIKeyXKNPNQSRNQRRDR-UHFFFAOYSA-N
XLogP2.60
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.60
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,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (CID 106928502) is 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Sc2nc(C)co2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XKNPNQSRNQRRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-5-14-10-16-11(19(6-2)7-3)18-12(17-10)21-13-15-9(4)8-20-13/h8H,5-7H2,1-4H3,(H,14,16,17,18).
What are the key properties of 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 308.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106928502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).