(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol

C7H9N3O4 — CID 139508595

IUPAC(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
SMILESC[C@@H](O)COc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C7H9N3O4/c1-5(11)4-14-7-8-2-6(3-9-7)10(12)13/h2-3,5,11H,4H2,1H3/t5-/m1/s1
InChIKeyVCHMNOZVZRJJIK-RXMQYKEDSA-N
MW199.17 g/mol
LogP0.14
Rot. Bonds4

About (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol

(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol (PubChem CID 139508595) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
PubChem CID139508595
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
SMILESC[C@@H](O)COc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C7H9N3O4/c1-5(11)4-14-7-8-2-6(3-9-7)10(12)13/h2-3,5,11H,4H2,1H3/t5-/m1/s1
InChIKeyVCHMNOZVZRJJIK-RXMQYKEDSA-N
XLogP0.14
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
CID 106933183
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922
N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine
CID 62349046
2-(2-hydroxypropoxy)-5-nitrobenzaldehyde
CID 60884121
3-methyl-1-[(5-nitropyrimidin-2-yl)amino]butan-2-ol
CID 104626095
3-(5-nitropyrimidin-2-yl)sulfanylbutan-2-ol
CID 104626115
(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
CID 106933007
propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
CID 145443905
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol?
The IUPAC name of (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol (CID 139508595) is (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol.
What is the SMILES notation for (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol?
The canonical SMILES for (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol is C[C@@H](O)COc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol?
The InChIKey is VCHMNOZVZRJJIK-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-5(11)4-14-7-8-2-6(3-9-7)10(12)13/h2-3,5,11H,4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol?
(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol has a molecular weight of 199.17 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol is sourced from PubChem (CID 139508595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).