7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole

C19H15N3S — CID 154631175

IUPAC7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
SMILESCc1cccc2cc(Sc3ccccc3)n(-c3ncccn3)c12
InChIInChI=1S/C19H15N3S/c1-14-7-5-8-15-13-17(23-16-9-3-2-4-10-16)22(18(14)15)19-20-11-6-12-21-19/h2-13H,1H3
InChIKeyHGKCTUDWVNSWJK-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.88
Rot. Bonds3

About 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole

7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole (PubChem CID 154631175) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole.

Molecular Properties

Compound Name7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
PubChem CID154631175
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
SMILESCc1cccc2cc(Sc3ccccc3)n(-c3ncccn3)c12
InChIInChI=1S/C19H15N3S/c1-14-7-5-8-15-13-17(23-16-9-3-2-4-10-16)22(18(14)15)19-20-11-6-12-21-19/h2-13H,1H3
InChIKeyHGKCTUDWVNSWJK-UHFFFAOYSA-N
XLogP4.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
The IUPAC name of 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole (CID 154631175) is 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole.
What is the SMILES notation for 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
The canonical SMILES for 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole is Cc1cccc2cc(Sc3ccccc3)n(-c3ncccn3)c12.
What is the InChIKey of 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
The InChIKey is HGKCTUDWVNSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-14-7-5-8-15-13-17(23-16-9-3-2-4-10-16)22(18(14)15)19-20-11-6-12-21-19/h2-13H,1H3.
What are the key properties of 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole?
7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole has a molecular weight of 317.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole is sourced from PubChem (CID 154631175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).