2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

C12H17FN4O4Pt — CID 174860804

IUPAC2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESFc1ncccn1.N[C@@H]1CCCC[C@H]1N.O=C([O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/C6H14N2.C4H3FN2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;5-4-6-2-1-3-7-4;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;1-3H;(H,3,4)(H,5,6);/q;;;+2/p-2/t5-,6-;;;/m1.../s1
InChIKeyHFLBPEMOQANAJI-SKSSAGQDSA-L
MW495.37 g/mol
LogP-2.69
Rot. Bonds

About 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 174860804) has the molecular formula C12H17FN4O4Pt and a molecular weight of 495.37 g/mol. Its IUPAC name is 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID174860804
Molecular FormulaC12H17FN4O4Pt
Molecular Weight495.37 g/mol
Exact Mass495.09
IUPAC Name2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESFc1ncccn1.N[C@@H]1CCCC[C@H]1N.O=C([O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/C6H14N2.C4H3FN2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;5-4-6-2-1-3-7-4;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;1-3H;(H,3,4)(H,5,6);/q;;;+2/p-2/t5-,6-;;;/m1.../s1
InChIKeyHFLBPEMOQANAJI-SKSSAGQDSA-L
XLogP-2.69
TPSA158.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 5-2.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(cyclohexane-1,2-diamine);oxalate;platinum(4+)
CID 173119560
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
cyclohexane-1,2-diamine;hydron;platinum(2+);phosphate
CID 3049901
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
CID 138396976
ethene;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine;chloride
CID 46224444
hydroxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 11225437
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (CID 174860804) is 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is Fc1ncccn1.N[C@@H]1CCCC[C@H]1N.O=C([O-])C(=O)[O-].[Pt+2].
What is the InChIKey of 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is HFLBPEMOQANAJI-SKSSAGQDSA-L. The full InChI is InChI=1S/C6H14N2.C4H3FN2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;5-4-6-2-1-3-7-4;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;1-3H;(H,3,4)(H,5,6);/q;;;+2/p-2/t5-,6-;;;/m1.../s1.
What are the key properties of 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 495.37 g/mol, XLogP of -2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrimidine;oxalate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 174860804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).