N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

C15H13FN6O2 — CID 7585705

IUPACN-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(F)ccc2C)nc(-n2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C15H13FN6O2/c1-9-3-4-11(16)6-13(9)19-14-5-10(2)18-15(20-14)21-8-12(7-17-21)22(23)24/h3-8H,1-2H3,(H,18,19,20)
InChIKeyAGZTYUNBAAMPHM-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.07
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine

N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (PubChem CID 7585705) has the molecular formula C15H13FN6O2 and a molecular weight of 328.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
PubChem CID7585705
Molecular FormulaC15H13FN6O2
Molecular Weight328.31 g/mol
Exact Mass328.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(F)ccc2C)nc(-n2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C15H13FN6O2/c1-9-3-4-11(16)6-13(9)19-14-5-10(2)18-15(20-14)21-8-12(7-17-21)22(23)24/h3-8H,1-2H3,(H,18,19,20)
InChIKeyAGZTYUNBAAMPHM-UHFFFAOYSA-N
XLogP3.07
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 53.07
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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Related Compounds

ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 7585658
1-N-(5-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079970
2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole
CID 176677462
N-(2,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 7424266
6-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 154882766
1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 99825240
6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 116798064
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
2-tert-butyl-4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955594
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine (CID 7585705) is N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(F)ccc2C)nc(-n2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is AGZTYUNBAAMPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O2/c1-9-3-4-11(16)6-13(9)19-14-5-10(2)18-15(20-14)21-8-12(7-17-21)22(23)24/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine?
N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 328.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 7585705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).