N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine

C11H9FN4O2 — CID 146408209

IUPACN-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine
SMILESCc1c(F)ccc([N+](=O)[O-])c1Nc1ncccn1
InChIInChI=1S/C11H9FN4O2/c1-7-8(12)3-4-9(16(17)18)10(7)15-11-13-5-2-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyIVYXVTPOLCCRGF-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.58
Rot. Bonds3

About N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine

N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine (PubChem CID 146408209) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine
PubChem CID146408209
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC NameN-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine
SMILESCc1c(F)ccc([N+](=O)[O-])c1Nc1ncccn1
InChIInChI=1S/C11H9FN4O2/c1-7-8(12)3-4-9(16(17)18)10(7)15-11-13-5-2-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyIVYXVTPOLCCRGF-UHFFFAOYSA-N
XLogP2.58
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine (CID 146408209) is N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine is Cc1c(F)ccc([N+](=O)[O-])c1Nc1ncccn1.
What is the InChIKey of N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine?
The InChIKey is IVYXVTPOLCCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c1-7-8(12)3-4-9(16(17)18)10(7)15-11-13-5-2-6-14-11/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine?
N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine has a molecular weight of 248.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methyl-6-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 146408209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).