4-(3-nitrophenoxy)pyrimidin-2-amine

C10H8N4O3 — CID 80870461

IUPAC4-(3-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nccc(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H8N4O3/c11-10-12-5-4-9(13-10)17-8-3-1-2-7(6-8)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyPBMNOTLAUBHENB-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.76
Rot. Bonds3

About 4-(3-nitrophenoxy)pyrimidin-2-amine

4-(3-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80870461) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-(3-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-nitrophenoxy)pyrimidin-2-amine
PubChem CID80870461
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name4-(3-nitrophenoxy)pyrimidin-2-amine
SMILESNc1nccc(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H8N4O3/c11-10-12-5-4-9(13-10)17-8-3-1-2-7(6-8)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyPBMNOTLAUBHENB-UHFFFAOYSA-N
XLogP1.76
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.76
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

2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
CID 80879396
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
6-[(3-nitrophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 32702957
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
6-(3-nitrophenoxy)pyridine-2-carboximidamide
CID 64593431
2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine
CID 31535269
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
2-N,2-N-dimethyl-6-(3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80870950
[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 79869655
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(3-nitrophenoxy)pyrimidin-2-amine (CID 80870461) is 4-(3-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(3-nitrophenoxy)pyrimidin-2-amine is Nc1nccc(Oc2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 4-(3-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is PBMNOTLAUBHENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-10-12-5-4-9(13-10)17-8-3-1-2-7(6-8)14(15)16/h1-6H,(H2,11,12,13).
What are the key properties of 4-(3-nitrophenoxy)pyrimidin-2-amine?
4-(3-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 232.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80870461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).