5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine

C10H11BrN4OS — CID 114073937

IUPAC5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nc(C)co2)c1Br
InChIInChI=1S/C10H11BrN4OS/c1-3-12-8-7(11)9(14-5-13-8)17-10-15-6(2)4-16-10/h4-5H,3H2,1-2H3,(H,12,13,14)
InChIKeyIFVGULYMXIVART-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.12
Rot. Bonds4

About 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine

5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 114073937) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID114073937
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nc(C)co2)c1Br
InChIInChI=1S/C10H11BrN4OS/c1-3-12-8-7(11)9(14-5-13-8)17-10-15-6(2)4-16-10/h4-5H,3H2,1-2H3,(H,12,13,14)
InChIKeyIFVGULYMXIVART-UHFFFAOYSA-N
XLogP3.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 114073949
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
[4-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methanol
CID 106926916
N-ethyl-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]imidazo[1,2-a]pyrazin-6-amine
CID 106928525
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-amine
CID 106928438
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
CID 106928540
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80891828
5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106378774
[3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazin-2-yl]methanamine
CID 106923706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 114073937) is 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine is CCNc1ncnc(Sc2nc(C)co2)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is IFVGULYMXIVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-3-12-8-7(11)9(14-5-13-8)17-10-15-6(2)4-16-10/h4-5H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine?
5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 315.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 114073937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).