4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

C12H14ClN5OS — CID 80890904

IUPAC4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Sc2ncccc2Cl)n1
InChIInChI=1S/C12H14ClN5OS/c1-3-14-10-16-11(19-4-2)18-12(17-10)20-9-8(13)6-5-7-15-9/h5-7H,3-4H2,1-2H3,(H,14,16,17,18)
InChIKeyAEEYLYGZHOECFH-UHFFFAOYSA-N
MW311.80 g/mol
LogP2.90
Rot. Bonds6

About 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80890904) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80890904
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Sc2ncccc2Cl)n1
InChIInChI=1S/C12H14ClN5OS/c1-3-14-10-16-11(19-4-2)18-12(17-10)20-9-8(13)6-5-7-15-9/h5-7H,3-4H2,1-2H3,(H,14,16,17,18)
InChIKeyAEEYLYGZHOECFH-UHFFFAOYSA-N
XLogP2.90
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894893
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
4-ethoxy-N-ethyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80846373
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 91252009

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 80890904) is 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(Sc2ncccc2Cl)n1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is AEEYLYGZHOECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-3-14-10-16-11(19-4-2)18-12(17-10)20-9-8(13)6-5-7-15-9/h5-7H,3-4H2,1-2H3,(H,14,16,17,18).
What are the key properties of 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 311.80 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).