(1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C10H15N5O5 — CID 10265938

IUPAC(1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1ncnc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O5/c11-9-6(15(19)20)10(13-3-12-9)14-5-1-4(2-16)7(17)8(5)18/h3-5,7-8,16-18H,1-2H2,(H3,11,12,13,14)/t4-,5-,7-,8+/m1/s1
InChIKeyLVDRYANKICNCQL-APOSLCTFSA-N
MW285.26 g/mol
LogP-1.52
Rot. Bonds4

About (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 10265938) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID10265938
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name(1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1ncnc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O5/c11-9-6(15(19)20)10(13-3-12-9)14-5-1-4(2-16)7(17)8(5)18/h3-5,7-8,16-18H,1-2H2,(H3,11,12,13,14)/t4-,5-,7-,8+/m1/s1
InChIKeyLVDRYANKICNCQL-APOSLCTFSA-N
XLogP-1.52
TPSA167.66 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 10265938) is (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Nc1ncnc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-].
What is the InChIKey of (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is LVDRYANKICNCQL-APOSLCTFSA-N. The full InChI is InChI=1S/C10H15N5O5/c11-9-6(15(19)20)10(13-3-12-9)14-5-1-4(2-16)7(17)8(5)18/h3-5,7-8,16-18H,1-2H2,(H3,11,12,13,14)/t4-,5-,7-,8+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 285.26 g/mol, XLogP of -1.52, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 10265938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).