5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine

C14H13BrN4S — CID 80890425

IUPAC5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13BrN4S/c1-2-16-14-17-8-10(15)13(19-14)20-12-7-9-5-3-4-6-11(9)18-12/h3-8,18H,2H2,1H3,(H,16,17,19)
InChIKeyQIDRSLKXNKTZEQ-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.30
Rot. Bonds4

About 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine

5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80890425) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID80890425
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13BrN4S/c1-2-16-14-17-8-10(15)13(19-14)20-12-7-9-5-3-4-6-11(9)18-12/h3-8,18H,2H2,1H3,(H,16,17,19)
InChIKeyQIDRSLKXNKTZEQ-UHFFFAOYSA-N
XLogP4.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-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

5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882339
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895
5-bromo-N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80892183
N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614373
5-bromo-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882687
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
4-(1,3-benzothiazol-2-ylsulfanyl)-5-bromo-N-propylpyrimidin-2-amine
CID 80873963

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine (CID 80890425) is 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine is CCNc1ncc(Br)c(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is QIDRSLKXNKTZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-2-16-14-17-8-10(15)13(19-14)20-12-7-9-5-3-4-6-11(9)18-12/h3-8,18H,2H2,1H3,(H,16,17,19).
What are the key properties of 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine?
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 349.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80890425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).