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

C9H10ClN5S — CID 107361013

IUPAC6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2sccc2Cl)n1
InChIInChI=1S/C9H10ClN5S/c1-15(2)9-13-7(12-8(11)14-9)6-5(10)3-4-16-6/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeyYNEMTQHOHUVOJU-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.90
Rot. Bonds2

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

6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107361013) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107361013
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(-c2sccc2Cl)n1
InChIInChI=1S/C9H10ClN5S/c1-15(2)9-13-7(12-8(11)14-9)6-5(10)3-4-16-6/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKeyYNEMTQHOHUVOJU-UHFFFAOYSA-N
XLogP1.90
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681516
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
6-(4-bromothiophen-3-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 79601794
2-N,2-N,4-N-trimethyl-6-(3-methylthiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 79991346
2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
CID 80641425
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
6-(2,6-dimethoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 116811235
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80807969
4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80847427
4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
CID 80645436
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
CID 80642166

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 107361013) is 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(-c2sccc2Cl)n1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YNEMTQHOHUVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-15(2)9-13-7(12-8(11)14-9)6-5(10)3-4-16-6/h3-4H,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 255.73 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107361013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).