6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine

C15H18BrN3S — CID 80889045

IUPAC6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2cccc(Br)c2)c1C(C)C
InChIInChI=1S/C15H18BrN3S/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-7-5-6-11(16)8-12/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyRMNJCHFVYPWPFF-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.95
Rot. Bonds5

About 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine

6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80889045) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80889045
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2cccc(Br)c2)c1C(C)C
InChIInChI=1S/C15H18BrN3S/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-7-5-6-11(16)8-12/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyRMNJCHFVYPWPFF-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

Analyze 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 114073878
6-N-ethyl-4-N-(3-methylsulfanylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767948
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80895438
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
4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80748618
6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80755254
4-N-[(4-bromothiophen-2-yl)methyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837173
4-N-(3-bromophenyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80737681

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 80889045) is 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Sc2cccc(Br)c2)c1C(C)C.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is RMNJCHFVYPWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-7-5-6-11(16)8-12/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-(3-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-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80889045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).