6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine

C12H20ClN3S — CID 80545395

IUPAC6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)C(C)CC(C)C)n1
InChIInChI=1S/C12H20ClN3S/c1-8(2)6-9(3)16(4)11-7-10(13)14-12(15-11)17-5/h7-9H,6H2,1-5H3
InChIKeyNXDORNIDXJNUCH-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.72
Rot. Bonds5

About 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80545395) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80545395
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC Name6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)C(C)CC(C)C)n1
InChIInChI=1S/C12H20ClN3S/c1-8(2)6-9(3)16(4)11-7-10(13)14-12(15-11)17-5/h7-9H,6H2,1-5H3
InChIKeyNXDORNIDXJNUCH-UHFFFAOYSA-N
XLogP3.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine (CID 80545395) is 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(N(C)C(C)CC(C)C)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NXDORNIDXJNUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3S/c1-8(2)6-9(3)16(4)11-7-10(13)14-12(15-11)17-5/h7-9H,6H2,1-5H3.
What are the key properties of 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 273.83 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80545395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).