6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine

C14H15Cl2N3S — CID 80890159

IUPAC6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Sc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H15Cl2N3S/c1-4-17-13-8(2)14(19-9(3)18-13)20-10-5-6-11(15)12(16)7-10/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyTZDUATLYNGCSNZ-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.98
Rot. Bonds4

About 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80890159) has the molecular formula C14H15Cl2N3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80890159
Molecular FormulaC14H15Cl2N3S
Molecular Weight328.27 g/mol
Exact Mass327.04
IUPAC Name6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Sc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H15Cl2N3S/c1-4-17-13-8(2)14(19-9(3)18-13)20-10-5-6-11(15)12(16)7-10/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyTZDUATLYNGCSNZ-UHFFFAOYSA-N
XLogP4.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-(3,4-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761248
6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80882760
N-ethyl-2,5-dimethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80895358
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
2-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893952
N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80891600
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
CID 115479576
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 80890159) is 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(Sc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is TZDUATLYNGCSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3S/c1-4-17-13-8(2)14(19-9(3)18-13)20-10-5-6-11(15)12(16)7-10/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 328.27 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfanyl-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80890159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).