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

C12H15ClN6S — CID 80891433

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H15ClN6S/c1-3-19(4-2)11-16-10(14)17-12(18-11)20-9-6-5-8(13)7-15-9/h5-7H,3-4H2,1-2H3,(H2,14,16,17,18)
InChIKeyOUMPDPDDGIWVLV-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.50
Rot. Bonds5

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

6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80891433) has the molecular formula C12H15ClN6S and a molecular weight of 310.81 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID80891433
Molecular FormulaC12H15ClN6S
Molecular Weight310.81 g/mol
Exact Mass310.08
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H15ClN6S/c1-3-19(4-2)11-16-10(14)17-12(18-11)20-9-6-5-8(13)7-15-9/h5-7H,3-4H2,1-2H3,(H2,14,16,17,18)
InChIKeyOUMPDPDDGIWVLV-UHFFFAOYSA-N
XLogP2.50
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 80891433) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2ccc(Cl)cn2)n1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OUMPDPDDGIWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6S/c1-3-19(4-2)11-16-10(14)17-12(18-11)20-9-6-5-8(13)7-15-9/h5-7H,3-4H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 310.81 g/mol, XLogP of 2.50, 5 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-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80891433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).