6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine

C14H17BrN4S — CID 80890169

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1ncccc1Br
InChIInChI=1S/C14H17BrN4S/c1-3-6-10-12(16-4-2)18-9-19-13(10)20-14-11(15)7-5-8-17-14/h5,7-9H,3-4,6H2,1-2H3,(H,16,18,19)
InChIKeyKHWMWJKEMFDQQF-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.17
Rot. Bonds6

About 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80890169) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80890169
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1ncccc1Br
InChIInChI=1S/C14H17BrN4S/c1-3-6-10-12(16-4-2)18-9-19-13(10)20-14-11(15)7-5-8-17-14/h5,7-9H,3-4,6H2,1-2H3,(H,16,18,19)
InChIKeyKHWMWJKEMFDQQF-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
CID 80891436
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000777
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine (CID 80890169) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Sc1ncccc1Br.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is KHWMWJKEMFDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-3-6-10-12(16-4-2)18-9-19-13(10)20-14-11(15)7-5-8-17-14/h5,7-9H,3-4,6H2,1-2H3,(H,16,18,19).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine?
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 353.29 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80890169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).