6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C9H10ClN5S — CID 80781146

IUPAC6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccsc1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C9H10ClN5S/c1-15(4-6-2-3-16-5-6)9-13-7(10)12-8(11)14-9/h2-3,5H,4H2,1H3,(H2,11,12,13,14)
InChIKeyNIWZRLWGSZAIHQ-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.81
Rot. Bonds3

About 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80781146) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80781146
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccsc1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C9H10ClN5S/c1-15(4-6-2-3-16-5-6)9-13-7(10)12-8(11)14-9/h2-3,5H,4H2,1H3,(H2,11,12,13,14)
InChIKeyNIWZRLWGSZAIHQ-UHFFFAOYSA-N
XLogP1.81
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 62868382
2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 133383518
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268192
2-chloro-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 43528045
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 62588302

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80781146) is 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CN(Cc1ccsc1)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NIWZRLWGSZAIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-15(4-6-2-3-16-5-6)9-13-7(10)12-8(11)14-9/h2-3,5H,4H2,1H3,(H2,11,12,13,14).
What are the key properties of 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 255.73 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80781146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).