6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H17ClN6S — CID 34704927

IUPAC6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN6S/c1-18(2)12-16-10(15-11(14)17-12)7-19(3)6-8-4-5-9(13)20-8/h4-5H,6-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyISAMTDYGUFVJLV-UHFFFAOYSA-N
MW312.83 g/mol
LogP1.87
Rot. Bonds5

About 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34704927) has the molecular formula C12H17ClN6S and a molecular weight of 312.83 g/mol. Its IUPAC name is 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34704927
Molecular FormulaC12H17ClN6S
Molecular Weight312.83 g/mol
Exact Mass312.09
IUPAC Name6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN6S/c1-18(2)12-16-10(15-11(14)17-12)7-19(3)6-8-4-5-9(13)20-8/h4-5H,6-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyISAMTDYGUFVJLV-UHFFFAOYSA-N
XLogP1.87
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17416510
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
2-bromo-5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]aniline
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2-amino-4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]phenol
CID 61438284
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]naphthalen-2-amine
CID 61439853
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-3-(trifluoromethyl)aniline
CID 81117412
[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34704927) is 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Cl)s1.
What is the InChIKey of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ISAMTDYGUFVJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6S/c1-18(2)12-16-10(15-11(14)17-12)7-19(3)6-8-4-5-9(13)20-8/h4-5H,6-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 312.83 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34704927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).