6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine

C13H15N3S — CID 112559921

IUPAC6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCSc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C13H15N3S/c1-3-17-12-9-11(14-2)15-13(16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyOGXIFBMBDDUYFF-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.30
Rot. Bonds4

About 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine

6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 112559921) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID112559921
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCSc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C13H15N3S/c1-3-17-12-9-11(14-2)15-13(16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyOGXIFBMBDDUYFF-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine (CID 112559921) is 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine is CCSc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is OGXIFBMBDDUYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-3-17-12-9-11(14-2)15-13(16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine?
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).