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

C14H17BrN4S — CID 80947795

IUPAC6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C14H17BrN4S/c1-3-5-11-18-12(16-4-2)8-14(19-11)20-13-7-6-10(15)9-17-13/h6-9H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyPPOKRUUQYBDOMM-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.17
Rot. Bonds6

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

6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 80947795) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID80947795
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C14H17BrN4S/c1-3-5-11-18-12(16-4-2)8-14(19-11)20-13-7-6-10(15)9-17-13/h6-9H,3-5H2,1-2H3,(H,16,18,19)
InChIKeyPPOKRUUQYBDOMM-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-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
CID 80936963
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 79239659
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine (CID 80947795) is 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(Sc2ccc(Br)cn2)n1.
What is the InChIKey of 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is PPOKRUUQYBDOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-3-5-11-18-12(16-4-2)8-14(19-11)20-13-7-6-10(15)9-17-13/h6-9H,3-5H2,1-2H3,(H,16,18,19).
What are the key properties of 6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine?
6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-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-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).