[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

C13H13N5O3 — CID 106473523

IUPAC[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccccc2[N+](=O)[O-])nc2c1COCC2
InChIInChI=1S/C13H13N5O3/c14-17-13-9-7-21-6-5-10(9)15-12(16-13)8-3-1-2-4-11(8)18(19)20/h1-4H,5-7,14H2,(H,15,16,17)
InChIKeyQVVVOPVIXRJIHU-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.41
Rot. Bonds3

About [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473523) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473523
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccccc2[N+](=O)[O-])nc2c1COCC2
InChIInChI=1S/C13H13N5O3/c14-17-13-9-7-21-6-5-10(9)15-12(16-13)8-3-1-2-4-11(8)18(19)20/h1-4H,5-7,14H2,(H,15,16,17)
InChIKeyQVVVOPVIXRJIHU-UHFFFAOYSA-N
XLogP1.41
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473597
[2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473494
[2-(4-chloro-2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106819770
2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190548
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
5-bromo-6-cyclopropyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 66303564
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473662
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292568
5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191254
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472866

Frequently Asked Questions

What is the IUPAC name of [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473523) is [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccccc2[N+](=O)[O-])nc2c1COCC2.
What is the InChIKey of [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is QVVVOPVIXRJIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c14-17-13-9-7-21-6-5-10(9)15-12(16-13)8-3-1-2-4-11(8)18(19)20/h1-4H,5-7,14H2,(H,15,16,17).
What are the key properties of [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 287.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).