5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine

C11H12BrN5S — CID 80889111

IUPAC5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Sc2ccncn2)n1
InChIInChI=1S/C11H12BrN5S/c1-2-4-14-11-15-6-8(12)10(17-11)18-9-3-5-13-7-16-9/h3,5-7H,2,4H2,1H3,(H,14,15,17)
InChIKeyJBGZDEBRTGDIMO-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine

5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine (PubChem CID 80889111) has the molecular formula C11H12BrN5S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
PubChem CID80889111
Molecular FormulaC11H12BrN5S
Molecular Weight326.22 g/mol
Exact Mass325.00
IUPAC Name5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Sc2ccncn2)n1
InChIInChI=1S/C11H12BrN5S/c1-2-4-14-11-15-6-8(12)10(17-11)18-9-3-5-13-7-16-9/h3,5-7H,2,4H2,1H3,(H,14,15,17)
InChIKeyJBGZDEBRTGDIMO-UHFFFAOYSA-N
XLogP3.00
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-propyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334996
5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928329
5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882339
2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80890051
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895
4-(1,3-benzothiazol-2-ylsulfanyl)-5-bromo-N-propylpyrimidin-2-amine
CID 80873963
5-bromo-4-[(4-chlorophenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 114793039
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine (CID 80889111) is 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine is CCCNc1ncc(Br)c(Sc2ccncn2)n1.
What is the InChIKey of 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The InChIKey is JBGZDEBRTGDIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5S/c1-2-4-14-11-15-6-8(12)10(17-11)18-9-3-5-13-7-16-9/h3,5-7H,2,4H2,1H3,(H,14,15,17).
What are the key properties of 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine has a molecular weight of 326.22 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80889111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).