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

C9H13N5O5 — CID 10378472

IUPAC(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](Nc2ncnc(N)c2[N+](=O)[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C9H13N5O5/c1-3-5(15)6(16)9(19-3)13-8-4(14(17)18)7(10)11-2-12-8/h2-3,5-6,9,15-16H,1H3,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
InChIKeyNCKBTNLKWGVPNH-UUOKFMHZSA-N
MW271.23 g/mol
LogP-1.15
Rot. Bonds3

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

(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol (PubChem CID 10378472) has the molecular formula C9H13N5O5 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol
PubChem CID10378472
Molecular FormulaC9H13N5O5
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H](Nc2ncnc(N)c2[N+](=O)[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C9H13N5O5/c1-3-5(15)6(16)9(19-3)13-8-4(14(17)18)7(10)11-2-12-8/h2-3,5-6,9,15-16H,1H3,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
InChIKeyNCKBTNLKWGVPNH-UUOKFMHZSA-N
XLogP-1.15
TPSA156.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
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 (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol (CID 10378472) is (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H](Nc2ncnc(N)c2[N+](=O)[O-])[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol?
The InChIKey is NCKBTNLKWGVPNH-UUOKFMHZSA-N. The full InChI is InChI=1S/C9H13N5O5/c1-3-5(15)6(16)9(19-3)13-8-4(14(17)18)7(10)11-2-12-8/h2-3,5-6,9,15-16H,1H3,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol?
(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol has a molecular weight of 271.23 g/mol, XLogP of -1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 10378472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).