(6-methylsulfanylpyrimidin-4-yl)-phenylmethanone

C12H10N2OS — CID 22599800

IUPAC(6-methylsulfanylpyrimidin-4-yl)-phenylmethanone
SMILESCSc1cc(C(=O)c2ccccc2)ncn1
InChIInChI=1S/C12H10N2OS/c1-16-11-7-10(13-8-14-11)12(15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyMFVWDAMWPGAEDO-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.43
Rot. Bonds3

About (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone

(6-methylsulfanylpyrimidin-4-yl)-phenylmethanone (PubChem CID 22599800) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methylsulfanylpyrimidin-4-yl)-phenylmethanone
PubChem CID22599800
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(6-methylsulfanylpyrimidin-4-yl)-phenylmethanone
SMILESCSc1cc(C(=O)c2ccccc2)ncn1
InChIInChI=1S/C12H10N2OS/c1-16-11-7-10(13-8-14-11)12(15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyMFVWDAMWPGAEDO-UHFFFAOYSA-N
XLogP2.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
The IUPAC name of (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone (CID 22599800) is (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone.
What is the SMILES notation for (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
The canonical SMILES for (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone is CSc1cc(C(=O)c2ccccc2)ncn1.
What is the InChIKey of (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
The InChIKey is MFVWDAMWPGAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-16-11-7-10(13-8-14-11)12(15)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone?
(6-methylsulfanylpyrimidin-4-yl)-phenylmethanone has a molecular weight of 230.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanylpyrimidin-4-yl)-phenylmethanone is sourced from PubChem (CID 22599800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).