4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine

C12H15ClN4OS — CID 106014097

IUPAC4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C12H15ClN4OS/c1-3-8-5-6-9(19-8)7-14-11-15-10(13)16-12(17-11)18-4-2/h5-6H,3-4,7H2,1-2H3,(H,14,15,16,17)
InChIKeyOIXFDHNAMIJLJN-UHFFFAOYSA-N
MW298.80 g/mol
LogP3.16
Rot. Bonds6

About 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 106014097) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID106014097
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCc2ccc(CC)s2)n1
InChIInChI=1S/C12H15ClN4OS/c1-3-8-5-6-9(19-8)7-14-11-15-10(13)16-12(17-11)18-4-2/h5-6H,3-4,7H2,1-2H3,(H,14,15,16,17)
InChIKeyOIXFDHNAMIJLJN-UHFFFAOYSA-N
XLogP3.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106405451
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
2-N-[(5-bromothiophen-2-yl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80836556
6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836550
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836555
2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821924
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine (CID 106014097) is 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCc2ccc(CC)s2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is OIXFDHNAMIJLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-3-8-5-6-9(19-8)7-14-11-15-10(13)16-12(17-11)18-4-2/h5-6H,3-4,7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 298.80 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106014097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).