6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

C11H15ClN6S — CID 106038174

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(CCNc2nc(Cl)nc(N(C)C)n2)cs1
InChIInChI=1S/C11H15ClN6S/c1-7-14-8(6-19-7)4-5-13-10-15-9(12)16-11(17-10)18(2)3/h6H,4-5H2,1-3H3,(H,13,15,16,17)
InChIKeyRYLSNQJSSSSMJO-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.01
Rot. Bonds5

About 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106038174) has the molecular formula C11H15ClN6S and a molecular weight of 298.80 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID106038174
Molecular FormulaC11H15ClN6S
Molecular Weight298.80 g/mol
Exact Mass298.08
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(CCNc2nc(Cl)nc(N(C)C)n2)cs1
InChIInChI=1S/C11H15ClN6S/c1-7-14-8(6-19-7)4-5-13-10-15-9(12)16-11(17-10)18(2)3/h6H,4-5H2,1-3H3,(H,13,15,16,17)
InChIKeyRYLSNQJSSSSMJO-UHFFFAOYSA-N
XLogP2.01
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106038270
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62863825
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
2-N,4-N,4-N,6-N-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80812522
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
6-chloro-2-N,2-N-dimethyl-4-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114130993
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
6-chloro-2-N,2-N-dimethyl-4-N-[2-(triazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 113413157
6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine
CID 62988752

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 106038174) is 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1nc(CCNc2nc(Cl)nc(N(C)C)n2)cs1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RYLSNQJSSSSMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6S/c1-7-14-8(6-19-7)4-5-13-10-15-9(12)16-11(17-10)18(2)3/h6H,4-5H2,1-3H3,(H,13,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 298.80 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106038174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).