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

C14H18FN5S — CID 80873606

IUPAC6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2ccccc2F)nc(N(C)C)n1
InChIInChI=1S/C14H18FN5S/c1-4-9-16-12-17-13(20(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-8H,4,9H2,1-3H3,(H,16,17,18,19)
InChIKeyUFAPGKHOJRFMHC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds6

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

6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80873606) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80873606
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2ccccc2F)nc(N(C)C)n1
InChIInChI=1S/C14H18FN5S/c1-4-9-16-12-17-13(20(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-8H,4,9H2,1-3H3,(H,16,17,18,19)
InChIKeyUFAPGKHOJRFMHC-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80873606) is 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Sc2ccccc2F)nc(N(C)C)n1.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UFAPGKHOJRFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c1-4-9-16-12-17-13(20(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-8H,4,9H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-(2-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-(2-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80873606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).