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

C17H14N4O2 — CID 14234659

IUPAC6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O2/c1-12-10-16(19-14-8-5-9-15(11-14)21(22)23)20-17(18-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19,20)
InChIKeyJNYVFHQRPSTOAE-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.10
Rot. Bonds4

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

6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine (PubChem CID 14234659) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine
PubChem CID14234659
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O2/c1-12-10-16(19-14-8-5-9-15(11-14)21(22)23)20-17(18-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19,20)
InChIKeyJNYVFHQRPSTOAE-UHFFFAOYSA-N
XLogP4.10
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.10
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

CID 4427235
CID 4427235
CID 619020
CID 619020
CID 697239
CID 697239
CID 721060
CID 721060
CID 11185362
CID 11185362
CID 11337482
CID 11337482
CID 11646276
CID 11646276
CID 697225
CID 697225
CID 2927831
CID 2927831
CID 5727345
CID 5727345
CID 10686149
CID 10686149
CID 5328199
CID 5328199

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine (CID 14234659) is 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine is Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is JNYVFHQRPSTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12-10-16(19-14-8-5-9-15(11-14)21(22)23)20-17(18-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19,20).
What are the key properties of 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine?
6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 306.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-nitrophenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 14234659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).