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

C12H11FN4O3 — CID 80875822

IUPAC5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2cccc([N+](=O)[O-])c2C)n1
InChIInChI=1S/C12H11FN4O3/c1-7-9(17(18)19)4-3-5-10(7)20-11-8(13)6-15-12(14-2)16-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyOSDFYZNHXPCQDG-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.67
Rot. Bonds4

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

5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80875822) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
PubChem CID80875822
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
SMILESCNc1ncc(F)c(Oc2cccc([N+](=O)[O-])c2C)n1
InChIInChI=1S/C12H11FN4O3/c1-7-9(17(18)19)4-3-5-10(7)20-11-8(13)6-15-12(14-2)16-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyOSDFYZNHXPCQDG-UHFFFAOYSA-N
XLogP2.67
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.67
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

N-ethyl-5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875908
5-fluoro-N-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80874791
5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875910
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
5-bromo-N-ethyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875914
4-(2-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103013829
5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862637
5-chloro-4-(5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80875623
5-bromo-4-(2,5-difluoro-4-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80880025
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
4-(3-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103589686
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine (CID 80875822) is 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine is CNc1ncc(F)c(Oc2cccc([N+](=O)[O-])c2C)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is OSDFYZNHXPCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-7-9(17(18)19)4-3-5-10(7)20-11-8(13)6-15-12(14-2)16-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 278.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80875822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).