6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine

C15H18BrN3S — CID 80949865

IUPAC6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3S/c1-3-5-13-18-14(17-4-2)10-15(19-13)20-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyFJQQTCRSFKBDOG-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.77
Rot. Bonds6

About 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine

6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 80949865) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID80949865
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3S/c1-3-5-13-18-14(17-4-2)10-15(19-13)20-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyFJQQTCRSFKBDOG-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80947795
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine (CID 80949865) is 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(Sc2ccc(Br)cc2)n1.
What is the InChIKey of 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is FJQQTCRSFKBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-3-5-13-18-14(17-4-2)10-15(19-13)20-12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine?
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine has a molecular weight of 352.30 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).