5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine

C8H11BrClN3S — CID 112663042

IUPAC5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
SMILESCSCCN(C)c1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3S/c1-13(3-4-14-2)7-6(9)5-11-8(10)12-7/h5H,3-4H2,1-2H3
InChIKeyYIDXWVXQQBQPRQ-UHFFFAOYSA-N
MW296.62 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine

5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine (PubChem CID 112663042) has the molecular formula C8H11BrClN3S and a molecular weight of 296.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
PubChem CID112663042
Molecular FormulaC8H11BrClN3S
Molecular Weight296.62 g/mol
Exact Mass294.95
IUPAC Name5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
SMILESCSCCN(C)c1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3S/c1-13(3-4-14-2)7-6(9)5-11-8(10)12-7/h5H,3-4H2,1-2H3
InChIKeyYIDXWVXQQBQPRQ-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine (CID 112663042) is 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine is CSCCN(C)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
The InChIKey is YIDXWVXQQBQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3S/c1-13(3-4-14-2)7-6(9)5-11-8(10)12-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine has a molecular weight of 296.62 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112663042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).