6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine

C14H15FN4O2 — CID 115502718

IUPAC6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc(C)c(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15FN4O2/c1-3-6-16-14-13(19(20)21)12(17-8-18-14)10-5-4-9(2)11(15)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyZNPKYXCZDDZXPR-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.32
Rot. Bonds5

About 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine

6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 115502718) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
PubChem CID115502718
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccc(C)c(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15FN4O2/c1-3-6-16-14-13(19(20)21)12(17-8-18-14)10-5-4-9(2)11(15)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,16,17,18)
InChIKeyZNPKYXCZDDZXPR-UHFFFAOYSA-N
XLogP3.32
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.32
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

6-(3-fluoro-5-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 79691420
6-(2-chloro-5-fluorophenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 105396181
6-(2,6-difluoro-3-methylphenyl)-N-ethyl-5-nitropyrimidin-4-amine
CID 82804423
6-(4-methylphenyl)sulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 23487363
6-(3-chlorothiophen-2-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 107361032
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
4-N-(2-methylsulfanylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839763
4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487265
4-N-(2,4-dichlorophenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487362
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405
5-nitro-6-propoxy-N-propylpyrimidin-4-amine
CID 80866918
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine (CID 115502718) is 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2ccc(C)c(F)c2)c1[N+](=O)[O-].
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is ZNPKYXCZDDZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-3-6-16-14-13(19(20)21)12(17-8-18-14)10-5-4-9(2)11(15)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine?
6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 290.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).