2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine

C13H12N4O3 — CID 80965952

IUPAC2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccccc2[N+](=O)[O-])nc(C2CC2)n1
InChIInChI=1S/C13H12N4O3/c14-11-7-12(16-13(15-11)8-5-6-8)20-10-4-2-1-3-9(10)17(18)19/h1-4,7-8H,5-6H2,(H2,14,15,16)
InChIKeyZUZGHZCCRHDFAD-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.64
Rot. Bonds4

About 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine

2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80965952) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
PubChem CID80965952
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccccc2[N+](=O)[O-])nc(C2CC2)n1
InChIInChI=1S/C13H12N4O3/c14-11-7-12(16-13(15-11)8-5-6-8)20-10-4-2-1-3-9(10)17(18)19/h1-4,7-8H,5-6H2,(H2,14,15,16)
InChIKeyZUZGHZCCRHDFAD-UHFFFAOYSA-N
XLogP2.64
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.64
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

6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
CID 80965208
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
2-tert-butyl-4-chloro-6-(2-nitrophenoxy)pyrimidine
CID 80943264
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
CID 102715235
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80876831

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine (CID 80965952) is 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine is Nc1cc(Oc2ccccc2[N+](=O)[O-])nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is ZUZGHZCCRHDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-11-7-12(16-13(15-11)8-5-6-8)20-10-4-2-1-3-9(10)17(18)19/h1-4,7-8H,5-6H2,(H2,14,15,16).
What are the key properties of 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine?
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 272.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80965952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).