N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine

C17H13FN4O2 — CID 162644708

IUPACN-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H13FN4O2/c1-11-9-16(21-17(19-11)12-5-3-2-4-6-12)20-13-7-8-14(18)15(10-13)22(23)24/h2-10H,1H3,(H,19,20,21)
InChIKeyOLDQOYLHWBLNHR-UHFFFAOYSA-N
MW324.32 g/mol
LogP4.24
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine

N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 162644708) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID162644708
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H13FN4O2/c1-11-9-16(21-17(19-11)12-5-3-2-4-6-12)20-13-7-8-14(18)15(10-13)22(23)24/h2-10H,1H3,(H,19,20,21)
InChIKeyOLDQOYLHWBLNHR-UHFFFAOYSA-N
XLogP4.24
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 54.24
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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Related Compounds

N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
CID 162654149
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
3-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767951
4-fluoro-N-methoxy-3-nitroaniline
CID 154020303
7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1227759
N-ethyl-6-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191593
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 162644708) is N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine is Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is OLDQOYLHWBLNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-11-9-16(21-17(19-11)12-5-3-2-4-6-12)20-13-7-8-14(18)15(10-13)22(23)24/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 324.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 162644708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).