6-(2-nitrophenoxy)pyrimidine-2,4-diamine

C10H9N5O3 — CID 80875321

IUPAC6-(2-nitrophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccccc2[N+](=O)[O-])nc(N)n1
InChIInChI=1S/C10H9N5O3/c11-8-5-9(14-10(12)13-8)18-7-4-2-1-3-6(7)15(16)17/h1-5H,(H4,11,12,13,14)
InChIKeyUWGPEIMYLRDHOF-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.34
Rot. Bonds3

About 6-(2-nitrophenoxy)pyrimidine-2,4-diamine

6-(2-nitrophenoxy)pyrimidine-2,4-diamine (PubChem CID 80875321) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 6-(2-nitrophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-nitrophenoxy)pyrimidine-2,4-diamine
PubChem CID80875321
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name6-(2-nitrophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccccc2[N+](=O)[O-])nc(N)n1
InChIInChI=1S/C10H9N5O3/c11-8-5-9(14-10(12)13-8)18-7-4-2-1-3-6(7)15(16)17/h1-5H,(H4,11,12,13,14)
InChIKeyUWGPEIMYLRDHOF-UHFFFAOYSA-N
XLogP1.34
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719899
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
CID 102715235

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-nitrophenoxy)pyrimidine-2,4-diamine (CID 80875321) is 6-(2-nitrophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-nitrophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-nitrophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2ccccc2[N+](=O)[O-])nc(N)n1.
What is the InChIKey of 6-(2-nitrophenoxy)pyrimidine-2,4-diamine?
The InChIKey is UWGPEIMYLRDHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-8-5-9(14-10(12)13-8)18-7-4-2-1-3-6(7)15(16)17/h1-5H,(H4,11,12,13,14).
What are the key properties of 6-(2-nitrophenoxy)pyrimidine-2,4-diamine?
6-(2-nitrophenoxy)pyrimidine-2,4-diamine has a molecular weight of 247.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80875321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).