(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)

C11H15N3O2Rh2-2 — CID 59671363

IUPAC(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)
SMILESCc1[c-]c(N[C@@H]2C[C@H](CO)[C@@H](O)C2)n[c-]n1.[Rh].[Rh]
InChIInChI=1S/C11H15N3O2.2Rh/c1-7-2-11(13-6-12-7)14-9-3-8(5-15)10(16)4-9;;/h8-10,15-16H,3-5H2,1H3,(H,12,13,14);;/q-2;;/t8-,9-,10+;;/m1../s1
InChIKeyXVPGHTRIKHRMDR-XYSAUEOZSA-N
MW427.07 g/mol
LogP-0.08
Rot. Bonds3

About (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)

(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium) (PubChem CID 59671363) has the molecular formula C11H15N3O2Rh2-2 and a molecular weight of 427.07 g/mol. Its IUPAC name is (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium).

Molecular Properties

Compound Name(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)
PubChem CID59671363
Molecular FormulaC11H15N3O2Rh2-2
Molecular Weight427.07 g/mol
Exact Mass426.93
IUPAC Name(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)
SMILESCc1[c-]c(N[C@@H]2C[C@H](CO)[C@@H](O)C2)n[c-]n1.[Rh].[Rh]
InChIInChI=1S/C11H15N3O2.2Rh/c1-7-2-11(13-6-12-7)14-9-3-8(5-15)10(16)4-9;;/h8-10,15-16H,3-5H2,1H3,(H,12,13,14);;/q-2;;/t8-,9-,10+;;/m1../s1
InChIKeyXVPGHTRIKHRMDR-XYSAUEOZSA-N
XLogP-0.08
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.07
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(hydroxymethyl)-4-(methylamino)cyclopentan-1-ol
CID 59891072
(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66805016
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 59671218
4-[[6-chloro-5-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 90724059
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97040038
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 97040097
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 98783777
4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039827
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide
CID 98783562
4-(hydroxymethyl)cyclopentane-1,3-diol
CID 57158544

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)?
The IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium) (CID 59671363) is (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium).
What is the SMILES notation for (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)?
The canonical SMILES for (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium) is Cc1[c-]c(N[C@@H]2C[C@H](CO)[C@@H](O)C2)n[c-]n1.[Rh].[Rh].
What is the InChIKey of (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)?
The InChIKey is XVPGHTRIKHRMDR-XYSAUEOZSA-N. The full InChI is InChI=1S/C11H15N3O2.2Rh/c1-7-2-11(13-6-12-7)14-9-3-8(5-15)10(16)4-9;;/h8-10,15-16H,3-5H2,1H3,(H,12,13,14);;/q-2;;/t8-,9-,10+;;/m1../s1.
What are the key properties of (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium)?
(1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium) has a molecular weight of 427.07 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(hydroxymethyl)-4-[(6-methyl-2,5-dihydropyrimidine-2,5-diid-4-yl)amino]cyclopentan-1-ol;bis(rhodium) is sourced from PubChem (CID 59671363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).