6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

C15H14N6O2 — CID 7192963

IUPAC6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1
InChIInChI=1S/C15H14N6O2/c1-10-3-5-12(6-4-10)18-14-7-11(2)17-15(19-14)20-9-13(8-16-20)21(22)23/h3-9H,1-2H3,(H,17,18,19)
InChIKeyNMGGKSDFNGSJSV-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.93
Rot. Bonds4

About 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (PubChem CID 7192963) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
PubChem CID7192963
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1
InChIInChI=1S/C15H14N6O2/c1-10-3-5-12(6-4-10)18-14-7-11(2)17-15(19-14)20-9-13(8-16-20)21(22)23/h3-9H,1-2H3,(H,17,18,19)
InChIKeyNMGGKSDFNGSJSV-UHFFFAOYSA-N
XLogP2.93
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (CID 7192963) is 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is Cc1ccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is NMGGKSDFNGSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-10-3-5-12(6-4-10)18-14-7-11(2)17-15(19-14)20-9-13(8-16-20)21(22)23/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 310.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 7192963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).