6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine

C10H16ClN5S — CID 114117809

IUPAC6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCC2(SC)CCC2)n1
InChIInChI=1S/C10H16ClN5S/c1-12-8-14-7(11)15-9(16-8)13-6-10(17-2)4-3-5-10/h3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeySSLWWXUTDNPFLD-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.26
Rot. Bonds5

About 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 114117809) has the molecular formula C10H16ClN5S and a molecular weight of 273.79 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID114117809
Molecular FormulaC10H16ClN5S
Molecular Weight273.79 g/mol
Exact Mass273.08
IUPAC Name6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCC2(SC)CCC2)n1
InChIInChI=1S/C10H16ClN5S/c1-12-8-14-7(11)15-9(16-8)13-6-10(17-2)4-3-5-10/h3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeySSLWWXUTDNPFLD-UHFFFAOYSA-N
XLogP2.26
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-chloro-6-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]pyrimidin-4-amine
CID 114117339
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 114116293
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
4,5-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3-thiazol-2-amine
CID 107268818
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
2,6-dichloro-4-[(1-methylsulfanylcyclobutyl)methylamino]phenol
CID 114269839
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
6-methyl-2-[(1-methylsulfanylcyclopentyl)methylamino]pyrimidine-4-carboxylic acid
CID 114117674
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974
6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80855459

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine (CID 114117809) is 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCC2(SC)CCC2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SSLWWXUTDNPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5S/c1-12-8-14-7(11)15-9(16-8)13-6-10(17-2)4-3-5-10/h3-6H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 273.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114117809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).