5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine

C10H11BrN4OS — CID 106928329

IUPAC5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Sc2ncco2)n1
InChIInChI=1S/C10H11BrN4OS/c1-2-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16-10/h4-6H,2-3H2,1H3,(H,12,14,15)
InChIKeyDKTQFTAVGCVZJW-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.20
Rot. Bonds5

About 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine

5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 106928329) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID106928329
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Sc2ncco2)n1
InChIInChI=1S/C10H11BrN4OS/c1-2-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16-10/h4-6H,2-3H2,1H3,(H,12,14,15)
InChIKeyDKTQFTAVGCVZJW-UHFFFAOYSA-N
XLogP3.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928233
5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 80889111
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 106928299
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
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
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine (CID 106928329) is 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(Sc2ncco2)n1.
What is the InChIKey of 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is DKTQFTAVGCVZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-2-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16-10/h4-6H,2-3H2,1H3,(H,12,14,15).
What are the key properties of 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 315.20 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106928329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).