6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine

C11H18ClN3S — CID 112698439

IUPAC6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)CCSC)n1
InChIInChI=1S/C11H18ClN3S/c1-5-9-13-10(12)8(2)11(14-9)15(3)6-7-16-4/h5-7H2,1-4H3
InChIKeyMWIRPBYTXYDZKU-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.80
Rot. Bonds5

About 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine

6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine (PubChem CID 112698439) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
PubChem CID112698439
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)CCSC)n1
InChIInChI=1S/C11H18ClN3S/c1-5-9-13-10(12)8(2)11(14-9)15(3)6-7-16-4/h5-7H2,1-4H3
InChIKeyMWIRPBYTXYDZKU-UHFFFAOYSA-N
XLogP2.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine (CID 112698439) is 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(C)CCSC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
The InChIKey is MWIRPBYTXYDZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-5-9-13-10(12)8(2)11(14-9)15(3)6-7-16-4/h5-7H2,1-4H3.
What are the key properties of 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine has a molecular weight of 259.81 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112698439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).