6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H17ClN6S — CID 80887790

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2ccc(Cl)cn2)nc(N(C)C)n1
InChIInChI=1S/C13H17ClN6S/c1-4-7-15-11-17-12(20(2)3)19-13(18-11)21-10-6-5-9(14)8-16-10/h5-6,8H,4,7H2,1-3H3,(H,15,17,18,19)
InChIKeyVEGYPMAEEDDIHO-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.96
Rot. Bonds6

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80887790) has the molecular formula C13H17ClN6S and a molecular weight of 324.84 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80887790
Molecular FormulaC13H17ClN6S
Molecular Weight324.84 g/mol
Exact Mass324.09
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2ccc(Cl)cn2)nc(N(C)C)n1
InChIInChI=1S/C13H17ClN6S/c1-4-7-15-11-17-12(20(2)3)19-13(18-11)21-10-6-5-9(14)8-16-10/h5-6,8H,4,7H2,1-3H3,(H,15,17,18,19)
InChIKeyVEGYPMAEEDDIHO-UHFFFAOYSA-N
XLogP2.96
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
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
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
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
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80887790) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Sc2ccc(Cl)cn2)nc(N(C)C)n1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VEGYPMAEEDDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6S/c1-4-7-15-11-17-12(20(2)3)19-13(18-11)21-10-6-5-9(14)8-16-10/h5-6,8H,4,7H2,1-3H3,(H,15,17,18,19).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 324.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80887790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).