5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride

C72H70ClMnN19O13 — CID 157231615

IUPAC5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCO.Cc1cnc(/C=C2\NC(=O)NC2=O)nc1-c1ccccc1.Cc1cnc(C=O)nc1-c1ccccc1.Cc1cnc(CC2NC(=O)NC2=O)nc1-c1ccccc1.Cc1cnc(CO)nc1-c1ccccc1.Cl.Nc1cnc(CC2NC(=O)NC2=O)nc1-c1ccccc1.O=C1CNC(=O)N1.O=[Mn]=O
InChIInChI=1S/C15H14N4O2.C15H12N4O2.C14H13N5O2.C12H12N2O.C12H10N2O.C3H4N2O2.CH4O.ClH.Mn.2O/c2*1-9-8-16-12(7-11-14(20)19-15(21)17-11)18-13(9)10-5-3-2-4-6-10;15-9-7-16-11(6-10-13(20)19-14(21)17-10)18-12(9)8-4-2-1-3-5-8;2*1-9-7-13-11(8-15)14-12(9)10-5-3-2-4-6-10;6-2-1-4-3(7)5-2;1-2;;;;/h2-6,8,11H,7H2,1H3,(H2,17,19,20,21);2-8H,1H3,(H2,17,19,20,21);1-5,7,10H,6,15H2,(H2,17,19,20,21);2-7,15H,8H2,1H3;2-8H,1H3;1H2,(H2,4,5,6,7);2H,1H3;1H;;;/b;11-7-;;;;;;;;;
InChIKeyMFBJWQCSOVKPMN-RURZODIASA-N
MW1499.86 g/mol
LogP6.14
Rot. Bonds12

About 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride

5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 157231615) has the molecular formula C72H70ClMnN19O13 and a molecular weight of 1499.86 g/mol. Its IUPAC name is 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID157231615
Molecular FormulaC72H70ClMnN19O13
Molecular Weight1499.86 g/mol
Exact Mass1498.45
IUPAC Name5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCO.Cc1cnc(/C=C2\NC(=O)NC2=O)nc1-c1ccccc1.Cc1cnc(C=O)nc1-c1ccccc1.Cc1cnc(CC2NC(=O)NC2=O)nc1-c1ccccc1.Cc1cnc(CO)nc1-c1ccccc1.Cl.Nc1cnc(CC2NC(=O)NC2=O)nc1-c1ccccc1.O=C1CNC(=O)N1.O=[Mn]=O
InChIInChI=1S/C15H14N4O2.C15H12N4O2.C14H13N5O2.C12H12N2O.C12H10N2O.C3H4N2O2.CH4O.ClH.Mn.2O/c2*1-9-8-16-12(7-11-14(20)19-15(21)17-11)18-13(9)10-5-3-2-4-6-10;15-9-7-16-11(6-10-13(20)19-14(21)17-10)18-12(9)8-4-2-1-3-5-8;2*1-9-7-13-11(8-15)14-12(9)10-5-3-2-4-6-10;6-2-1-4-3(7)5-2;1-2;;;;/h2-6,8,11H,7H2,1H3,(H2,17,19,20,21);2-8H,1H3,(H2,17,19,20,21);1-5,7,10H,6,15H2,(H2,17,19,20,21);2-7,15H,8H2,1H3;2-8H,1H3;1H2,(H2,4,5,6,7);2H,1H3;1H;;;/b;11-7-;;;;;;;;;
InChIKeyMFBJWQCSOVKPMN-RURZODIASA-N
XLogP6.14
TPSA479.39 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.86
LogP ≤ 56.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride (CID 157231615) is 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride is CO.Cc1cnc(/C=C2\NC(=O)NC2=O)nc1-c1ccccc1.Cc1cnc(C=O)nc1-c1ccccc1.Cc1cnc(CC2NC(=O)NC2=O)nc1-c1ccccc1.Cc1cnc(CO)nc1-c1ccccc1.Cl.Nc1cnc(CC2NC(=O)NC2=O)nc1-c1ccccc1.O=C1CNC(=O)N1.O=[Mn]=O.
What is the InChIKey of 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is MFBJWQCSOVKPMN-RURZODIASA-N. The full InChI is InChI=1S/C15H14N4O2.C15H12N4O2.C14H13N5O2.C12H12N2O.C12H10N2O.C3H4N2O2.CH4O.ClH.Mn.2O/c2*1-9-8-16-12(7-11-14(20)19-15(21)17-11)18-13(9)10-5-3-2-4-6-10;15-9-7-16-11(6-10-13(20)19-14(21)17-10)18-12(9)8-4-2-1-3-5-8;2*1-9-7-13-11(8-15)14-12(9)10-5-3-2-4-6-10;6-2-1-4-3(7)5-2;1-2;;;;/h2-6,8,11H,7H2,1H3,(H2,17,19,20,21);2-8H,1H3,(H2,17,19,20,21);1-5,7,10H,6,15H2,(H2,17,19,20,21);2-7,15H,8H2,1H3;2-8H,1H3;1H2,(H2,4,5,6,7);2H,1H3;1H;;;/b;11-7-;;;;;;;;;.
What are the key properties of 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?
5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 1499.86 g/mol, XLogP of 6.14, 12 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;dioxomanganese;imidazolidine-2,4-dione;methanol;5-methyl-4-phenylpyrimidine-2-carbaldehyde;(5-methyl-4-phenylpyrimidin-2-yl)methanol;(5Z)-5-[(5-methyl-4-phenylpyrimidin-2-yl)methylidene]imidazolidine-2,4-dione;5-[(5-methyl-4-phenylpyrimidin-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 157231615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).