[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone

C20H19Cl2N5O2S — CID 55807755

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H19Cl2N5O2S/c1-12-16(19(30-2)25-17(24-12)15-4-3-9-29-15)20(28)27-7-5-26(6-8-27)18-14(22)10-13(21)11-23-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyCXHYECKBPONRJD-UHFFFAOYSA-N
MW464.38 g/mol
LogP4.43
Rot. Bonds4

About [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone (PubChem CID 55807755) has the molecular formula C20H19Cl2N5O2S and a molecular weight of 464.38 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
PubChem CID55807755
Molecular FormulaC20H19Cl2N5O2S
Molecular Weight464.38 g/mol
Exact Mass463.06
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H19Cl2N5O2S/c1-12-16(19(30-2)25-17(24-12)15-4-3-9-29-15)20(28)27-7-5-26(6-8-27)18-14(22)10-13(21)11-23-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyCXHYECKBPONRJD-UHFFFAOYSA-N
XLogP4.43
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone (CID 55807755) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone is CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone?
The InChIKey is CXHYECKBPONRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2S/c1-12-16(19(30-2)25-17(24-12)15-4-3-9-29-15)20(28)27-7-5-26(6-8-27)18-14(22)10-13(21)11-23-18/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone has a molecular weight of 464.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone is sourced from PubChem (CID 55807755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).