4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine

C13H20N6OS — CID 80784173

IUPAC4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NCc2csc(C)n2)n1
InChIInChI=1S/C13H20N6OS/c1-4-6-20-13-18-11(14-5-2)17-12(19-13)15-7-10-8-21-9(3)16-10/h8H,4-7H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyIYVHKLADYTVDMG-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.47
Rot. Bonds8

About 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80784173) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80784173
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NCc2csc(C)n2)n1
InChIInChI=1S/C13H20N6OS/c1-4-6-20-13-18-11(14-5-2)17-12(19-13)15-7-10-8-21-9(3)16-10/h8H,4-7H2,1-3H3,(H2,14,15,17,18,19)
InChIKeyIYVHKLADYTVDMG-UHFFFAOYSA-N
XLogP2.47
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-ethoxy-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 80896902
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
2-N-ethyl-6-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807956
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821924
N-ethyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861141
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80784173) is 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(NCc2csc(C)n2)n1.
What is the InChIKey of 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IYVHKLADYTVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-6-20-13-18-11(14-5-2)17-12(19-13)15-7-10-8-21-9(3)16-10/h8H,4-7H2,1-3H3,(H2,14,15,17,18,19).
What are the key properties of 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 308.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80784173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).