5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine

C16H12FN5O2 — CID 141481686

IUPAC5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1Nc1ncc(F)c(-c2cccnc2)n1
InChIInChI=1S/C16H12FN5O2/c1-10-4-5-12(22(23)24)7-14(10)20-16-19-9-13(17)15(21-16)11-3-2-6-18-8-11/h2-9H,1H3,(H,19,20,21)
InChIKeyMHTLLTIZBPOXRQ-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.64
Rot. Bonds4

About 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine

5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 141481686) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID141481686
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc([N+](=O)[O-])cc1Nc1ncc(F)c(-c2cccnc2)n1
InChIInChI=1S/C16H12FN5O2/c1-10-4-5-12(22(23)24)7-14(10)20-16-19-9-13(17)15(21-16)11-3-2-6-18-8-11/h2-9H,1H3,(H,19,20,21)
InChIKeyMHTLLTIZBPOXRQ-UHFFFAOYSA-N
XLogP3.64
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine (CID 141481686) is 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine is Cc1ccc([N+](=O)[O-])cc1Nc1ncc(F)c(-c2cccnc2)n1.
What is the InChIKey of 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is MHTLLTIZBPOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-10-4-5-12(22(23)24)7-14(10)20-16-19-9-13(17)15(21-16)11-3-2-6-18-8-11/h2-9H,1H3,(H,19,20,21).
What are the key properties of 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine?
5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 325.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 141481686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).