2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine

C13H11FN4O3 — CID 80965208

IUPAC2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H11FN4O3/c14-9-5-8(3-4-10(9)18(19)20)21-12-6-11(15)16-13(17-12)7-1-2-7/h3-7H,1-2H2,(H2,15,16,17)
InChIKeyOAMFIGIMURZJAK-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.78
Rot. Bonds4

About 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine

2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80965208) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
PubChem CID80965208
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccc([N+](=O)[O-])c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H11FN4O3/c14-9-5-8(3-4-10(9)18(19)20)21-12-6-11(15)16-13(17-12)7-1-2-7/h3-7H,1-2H2,(H2,15,16,17)
InChIKeyOAMFIGIMURZJAK-UHFFFAOYSA-N
XLogP2.78
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.78
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-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
2-cyclopropyl-6-(4-fluorophenoxy)pyrimidin-4-amine
CID 80966558
2-cyclopropyl-6-phenoxypyrimidin-4-amine
CID 80965794
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80966516
2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
CID 122135394
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332258
6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 102703887
2-bromo-5-(3-fluoro-4-nitrophenoxy)-1,3,4-thiadiazole
CID 64622817
4-(2-cyclopropyloxyethoxy)-2-fluoro-1-nitrobenzene
CID 176909165
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
4-cyclopropyl-2-fluoro-1-nitrobenzene;(3-fluoro-4-nitrophenyl) trifluoromethanesulfonate
CID 159413937

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine (CID 80965208) is 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine is Nc1cc(Oc2ccc([N+](=O)[O-])c(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is OAMFIGIMURZJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c14-9-5-8(3-4-10(9)18(19)20)21-12-6-11(15)16-13(17-12)7-1-2-7/h3-7H,1-2H2,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine?
2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 290.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluoro-4-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80965208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).