6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine

C15H18BrN3S — CID 80888128

IUPAC6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccccc2Br)c1C(C)C
InChIInChI=1S/C15H18BrN3S/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyYCSJBPALIQFTTL-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.95
Rot. Bonds5

About 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine

6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80888128) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80888128
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccccc2Br)c1C(C)C
InChIInChI=1S/C15H18BrN3S/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyYCSJBPALIQFTTL-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 115503721
6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80873139
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80891828
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80895438
6-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 114793065
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80756958

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 80888128) is 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Sc2ccccc2Br)c1C(C)C.
What is the InChIKey of 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is YCSJBPALIQFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 352.30 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80888128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).