6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H18FN5S — CID 80869964

IUPAC6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H18FN5S/c1-4-9-16-12-17-13(20(2)3)19-14(18-12)21-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,17,18,19)
InChIKeyJJLYZLXDKSXYSZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds6

About 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80869964) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80869964
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H18FN5S/c1-4-9-16-12-17-13(20(2)3)19-14(18-12)21-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,17,18,19)
InChIKeyJJLYZLXDKSXYSZ-UHFFFAOYSA-N
XLogP3.05
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80887790
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80888160
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine
CID 635746
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80869964) is 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Sc2ccc(F)cc2)nc(N(C)C)n1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JJLYZLXDKSXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c1-4-9-16-12-17-13(20(2)3)19-14(18-12)21-11-7-5-10(15)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 307.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80869964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).