N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C11H13ClN4O2S — CID 103702670

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(Cl)s2)nc(OC)n1
InChIInChI=1S/C11H13ClN4O2S/c1-17-10-14-9(15-11(16-10)18-2)13-6-5-7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,13,14,15,16)
InChIKeyBTVKJOQEEGTPMR-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 103702670) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID103702670
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(Cl)s2)nc(OC)n1
InChIInChI=1S/C11H13ClN4O2S/c1-17-10-14-9(15-11(16-10)18-2)13-6-5-7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,13,14,15,16)
InChIKeyBTVKJOQEEGTPMR-UHFFFAOYSA-N
XLogP2.26
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 114139975
N-[(5-chlorothiophen-2-yl)methyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80912485
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
2-[2-(5-chlorothiophen-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 106042979
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 106049337
2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
CID 106034899
methyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 114140236
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 106042397
3-tert-butyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106048779
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106042449
4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
6-chloro-2-N-[(5-chlorothiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836550

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 103702670) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(Cl)s2)nc(OC)n1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is BTVKJOQEEGTPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-17-10-14-9(15-11(16-10)18-2)13-6-5-7-3-4-8(12)19-7/h3-4H,5-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 300.77 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 103702670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).