6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol

C32H29Cl2Mn2N5O5 — CID 177214820

About 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol

6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol (PubChem CID 177214820) has the molecular formula C32H29Cl2Mn2N5O5 and a molecular weight of 744.40 g/mol. Its IUPAC name is 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol.

Molecular Properties

• Compound Name: 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol
• PubChem CID: 177214820
• Molecular Formula: C32H29Cl2Mn2N5O5
• Molecular Weight: 744.40 g/mol
• Exact Mass: 743.03
• IUPAC Name: 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol
• SMILES: Cn1c(=O)c2[c-]ncnc2n(C)c1=O.OC1[CH-]CCOC1.[CH2-]c1ccc(-c2cccc(-c3ccc[c-]c3Cl)c2Cl)nc1OC.[Mn+2].[Mn+2]
• InChI: InChI=1S/C19H13Cl2NO.C8H7N4O2.C5H9O2.2Mn/c1-12-10-11-17(22-19(12)23-2)15-8-5-7-14(18(15)21)13-6-3-4-9-16(13)20;1-11-6-5(3-9-4-10-6)7(13)12(2)8(11)14;6-5-2-1-3-7-4-5;;/h3-8,10-11H,1H2,2H3;4H,1-2H3;2,5-6H,1,3-4H2;;/q-2;2*-1;2*+2
• InChIKey: IIACYHPMYKONOO-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 121.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	744.40
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol?

The IUPAC name of 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol (CID 177214820) is 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol.

What is the SMILES notation for 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol?

The canonical SMILES for 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol is Cn1c(=O)c2[c-]ncnc2n(C)c1=O.OC1[CH-]CCOC1.[CH2-]c1ccc(-c2cccc(-c3ccc[c-]c3Cl)c2Cl)nc1OC.[Mn+2].[Mn+2].

What is the InChIKey of 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol?

The InChIKey is IIACYHPMYKONOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO.C8H7N4O2.C5H9O2.2Mn/c1-12-10-11-17(22-19(12)23-2)15-8-5-7-14(18(15)21)13-6-3-4-9-16(13)20;1-11-6-5(3-9-4-10-6)7(13)12(2)8(11)14;6-5-2-1-3-7-4-5;;/h3-8,10-11H,1H2,2H3;4H,1-2H3;2,5-6H,1,3-4H2;;/q-2;2*-1;2*+2.

What are the key properties of 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol?

6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol has a molecular weight of 744.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-3-methanidyl-2-methoxypyridine;1,3-dimethyl-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;bis(manganese(2+));3,4,5,6-tetrahydro-2H-pyran-4-id-3-ol is sourced from PubChem (CID 177214820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).