2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C14H18ClN5S — CID 15594759

IUPAC2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(SC)n1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H18ClN5S/c1-4-11(9-5-6-10(15)8(2)7-9)17-13-18-12(16)19-14(20-13)21-3/h5-7,11H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyCJTZLXPYBXJRJP-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.70
Rot. Bonds5

About 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 15594759) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID15594759
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(SC)n1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H18ClN5S/c1-4-11(9-5-6-10(15)8(2)7-9)17-13-18-12(16)19-14(20-13)21-3/h5-7,11H,4H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyCJTZLXPYBXJRJP-UHFFFAOYSA-N
XLogP3.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[1-(3-chloro-4-methoxyphenyl)ethyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594743
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-2-(3-chloro-4-fluorophenyl)ethanol
CID 167905183
5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine
CID 67345901
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
[1-(4-chloro-3-methylphenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413134
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
CID 43765643
6-methylsulfanyl-2-N-[1-(3-phenoxyphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 14574961
N-[1-(3,4-dichlorophenyl)propyl]-4-iodo-2-methylaniline
CID 63440708
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 15594759) is 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(SC)n1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CJTZLXPYBXJRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-4-11(9-5-6-10(15)8(2)7-9)17-13-18-12(16)19-14(20-13)21-3/h5-7,11H,4H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 323.85 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15594759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).