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

C18H14ClN5O2 — CID 23481771

IUPACN-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H14ClN5O2/c19-13-6-2-3-7-14(13)22-17-16(24(25)26)18(21-11-20-17)23-10-9-12-5-1-4-8-15(12)23/h1-8,11H,9-10H2,(H,20,21,22)
InChIKeyWPFRSUIOEUWADO-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.48
Rot. Bonds4

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

N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 23481771) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
PubChem CID23481771
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1N1CCc2ccccc21
InChIInChI=1S/C18H14ClN5O2/c19-13-6-2-3-7-14(13)22-17-16(24(25)26)18(21-11-20-17)23-10-9-12-5-1-4-8-15(12)23/h1-8,11H,9-10H2,(H,20,21,22)
InChIKeyWPFRSUIOEUWADO-UHFFFAOYSA-N
XLogP4.48
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.48
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-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481676
N-(2,5-difluorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481857
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
N-(4-butoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481732
N-(2-chlorophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492457
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 23484858
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 22527662
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22531414
N'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22531446
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine (CID 23481771) is N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1N1CCc2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is WPFRSUIOEUWADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-13-6-2-3-7-14(13)22-17-16(24(25)26)18(21-11-20-17)23-10-9-12-5-1-4-8-15(12)23/h1-8,11H,9-10H2,(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine?
N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 367.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23481771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).