5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum

C16H18ClN3O2Pt — CID 161025882

IUPAC5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
SMILESCN1CCC(c2ncc(-c3ccc(Cl)cc3)cn2)CC1.O=[Pt]=O
InChIInChI=1S/C16H18ClN3.2O.Pt/c1-20-8-6-13(7-9-20)16-18-10-14(11-19-16)12-2-4-15(17)5-3-12;;;/h2-5,10-11,13H,6-9H2,1H3;;;
InChIKeyTYYUILXWJDMODW-UHFFFAOYSA-N
MW514.87 g/mol
LogP3.37
Rot. Bonds2

About 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum

5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum (PubChem CID 161025882) has the molecular formula C16H18ClN3O2Pt and a molecular weight of 514.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
PubChem CID161025882
Molecular FormulaC16H18ClN3O2Pt
Molecular Weight514.87 g/mol
Exact Mass514.07
IUPAC Name5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
SMILESCN1CCC(c2ncc(-c3ccc(Cl)cc3)cn2)CC1.O=[Pt]=O
InChIInChI=1S/C16H18ClN3.2O.Pt/c1-20-8-6-13(7-9-20)16-18-10-14(11-19-16)12-2-4-15(17)5-3-12;;;/h2-5,10-11,13H,6-9H2,1H3;;;
InChIKeyTYYUILXWJDMODW-UHFFFAOYSA-N
XLogP3.37
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.87
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92607994
1-(4-chlorophenyl)-4-(1-methylpiperidin-4-yl)phthalazine
CID 134470827
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(4-methylphenyl)pyrimidine
CID 21359920
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
CID 117259842
2,5-bis(4-chlorophenyl)pyrimidine
CID 174829334
4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid
CID 116864964
tert-butyl 4-[5-(4-sulfamoylphenyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 141468048
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
CID 1483973
2-chloro-3-(1-methylpiperidin-4-yl)pyrazine
CID 175662724

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum?
The IUPAC name of 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum (CID 161025882) is 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum?
The canonical SMILES for 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum is CN1CCC(c2ncc(-c3ccc(Cl)cc3)cn2)CC1.O=[Pt]=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum?
The InChIKey is TYYUILXWJDMODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3.2O.Pt/c1-20-8-6-13(7-9-20)16-18-10-14(11-19-16)12-2-4-15(17)5-3-12;;;/h2-5,10-11,13H,6-9H2,1H3;;;.
What are the key properties of 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum?
5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum has a molecular weight of 514.87 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum is sourced from PubChem (CID 161025882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).