3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine

C11H10Cl2N4S — CID 102761520

IUPAC3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
SMILESCCNc1nc(Sc2ccncn2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4S/c1-2-15-10-7(12)5-8(13)11(17-10)18-9-3-4-14-6-16-9/h3-6H,2H2,1H3,(H,15,17)
InChIKeyHNUWZXQAVJFAQU-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.76
Rot. Bonds4

About 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine

3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine (PubChem CID 102761520) has the molecular formula C11H10Cl2N4S and a molecular weight of 301.20 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
PubChem CID102761520
Molecular FormulaC11H10Cl2N4S
Molecular Weight301.20 g/mol
Exact Mass300.00
IUPAC Name3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
SMILESCCNc1nc(Sc2ccncn2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4S/c1-2-15-10-7(12)5-8(13)11(17-10)18-9-3-4-14-6-16-9/h3-6H,2H2,1H3,(H,15,17)
InChIKeyHNUWZXQAVJFAQU-UHFFFAOYSA-N
XLogP3.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761292
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 102761278
3,5-dichloro-6-(3,4-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761248
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
3,5-dichloro-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761451
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102761476
N-ethyl-8-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889297
2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80890051
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine (CID 102761520) is 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine is CCNc1nc(Sc2ccncn2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
The InChIKey is HNUWZXQAVJFAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4S/c1-2-15-10-7(12)5-8(13)11(17-10)18-9-3-4-14-6-16-9/h3-6H,2H2,1H3,(H,15,17).
What are the key properties of 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine?
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine has a molecular weight of 301.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 102761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).