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

C15H19N3S — CID 65143637

IUPAC6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCCc1nc(CSc2ccccc2)nc(NC)c1C
InChIInChI=1S/C15H19N3S/c1-4-13-11(2)15(16-3)18-14(17-13)10-19-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyIOBRXUXGEIIKPU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.68
Rot. Bonds5

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

6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 65143637) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
PubChem CID65143637
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
SMILESCCc1nc(CSc2ccccc2)nc(NC)c1C
InChIInChI=1S/C15H19N3S/c1-4-13-11(2)15(16-3)18-14(17-13)10-19-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyIOBRXUXGEIIKPU-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine (CID 65143637) is 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine is CCc1nc(CSc2ccccc2)nc(NC)c1C.
What is the InChIKey of 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is IOBRXUXGEIIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-13-11(2)15(16-3)18-14(17-13)10-19-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine?
6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 65143637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).