5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine

C11H9FN4O3 — CID 80875910

IUPAC5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
SMILESCc1c(Oc2nc(N)ncc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN4O3/c1-6-8(16(17)18)3-2-4-9(6)19-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyZGCAMVJAIMQRBT-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.21
Rot. Bonds3

About 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine

5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80875910) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
PubChem CID80875910
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
SMILESCc1c(Oc2nc(N)ncc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H9FN4O3/c1-6-8(16(17)18)3-2-4-9(6)19-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyZGCAMVJAIMQRBT-UHFFFAOYSA-N
XLogP2.21
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.21
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'}

Analyze 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875822
N-ethyl-5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875908
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881412
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
2-N,2-N-dimethyl-6-(2-methyl-3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80875917
3-(2-methyl-3-nitrophenoxy)-2-nitroaniline
CID 80875915
4-chloro-2,5-dimethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63734876

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine (CID 80875910) is 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine is Cc1c(Oc2nc(N)ncc2F)cccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is ZGCAMVJAIMQRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c1-6-8(16(17)18)3-2-4-9(6)19-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 264.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80875910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).