2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine

C10H12ClN5OS — CID 114139975

IUPAC2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H12ClN5OS/c1-17-10-15-8(12)14-9(16-10)13-5-4-6-2-3-7(11)18-6/h2-3H,4-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyONNJEJARLOTUGP-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.83
Rot. Bonds5

About 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 114139975) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID114139975
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H12ClN5OS/c1-17-10-15-8(12)14-9(16-10)13-5-4-6-2-3-7(11)18-6/h2-3H,4-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyONNJEJARLOTUGP-UHFFFAOYSA-N
XLogP1.83
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103702670
N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80912485
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106042703
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
6-methoxy-2-N-(3-methylsulfanylpropyl)-1,3,5-triazine-2,4-diamine
CID 80839887
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106424499
2-[2-(5-chlorothiophen-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 106042979
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 106049337

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine (CID 114139975) is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCCc2ccc(Cl)s2)n1.
What is the InChIKey of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ONNJEJARLOTUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c1-17-10-15-8(12)14-9(16-10)13-5-4-6-2-3-7(11)18-6/h2-3H,4-5H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 285.76 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114139975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).