N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine

C18H13F2N5O2 — CID 23481857

IUPACN-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H13F2N5O2/c19-12-5-6-13(20)14(9-12)23-17-16(25(26)27)18(22-10-21-17)24-8-7-11-3-1-2-4-15(11)24/h1-6,9-10H,7-8H2,(H,21,22,23)
InChIKeyCGXUQIVTXKZLNI-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.10
Rot. Bonds4

About N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine

N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 23481857) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
PubChem CID23481857
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC NameN-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H13F2N5O2/c19-12-5-6-13(20)14(9-12)23-17-16(25(26)27)18(22-10-21-17)24-8-7-11-3-1-2-4-15(11)24/h1-6,9-10H,7-8H2,(H,21,22,23)
InChIKeyCGXUQIVTXKZLNI-UHFFFAOYSA-N
XLogP4.10
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481771
N-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481676
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 22527662
N-(4-butoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481732
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22531414
N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22538661
N-(2,5-difluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine
CID 22538664
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 23484858
N'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22531446
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 23481699
N'-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23481821

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine (CID 23481857) is N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2cc(F)ccc2F)ncnc1N1CCc2ccccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is CGXUQIVTXKZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c19-12-5-6-13(20)14(9-12)23-17-16(25(26)27)18(22-10-21-17)24-8-7-11-3-1-2-4-15(11)24/h1-6,9-10H,7-8H2,(H,21,22,23).
What are the key properties of N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 369.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23481857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).