5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine

C10H16BrN3S — CID 112551364

IUPAC5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine
SMILESCCC(CSC)N(C)c1ncncc1Br
InChIInChI=1S/C10H16BrN3S/c1-4-8(6-15-3)14(2)10-9(11)5-12-7-13-10/h5,7-8H,4,6H2,1-3H3
InChIKeyBHBGCNXRIIMMNV-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.82
Rot. Bonds5

About 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine

5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine (PubChem CID 112551364) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine
PubChem CID112551364
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine
SMILESCCC(CSC)N(C)c1ncncc1Br
InChIInChI=1S/C10H16BrN3S/c1-4-8(6-15-3)14(2)10-9(11)5-12-7-13-10/h5,7-8H,4,6H2,1-3H3
InChIKeyBHBGCNXRIIMMNV-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine (CID 112551364) is 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine is CCC(CSC)N(C)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine?
The InChIKey is BHBGCNXRIIMMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-4-8(6-15-3)14(2)10-9(11)5-12-7-13-10/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine?
5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine has a molecular weight of 290.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 112551364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).