2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole

C19H16N4O2 — CID 66493749

IUPAC2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nccc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H16N4O2/c1-13-12-15-4-2-3-5-18(15)22(13)19-20-11-10-17(21-19)14-6-8-16(9-7-14)23(24)25/h2-11,13H,12H2,1H3
InChIKeyIHBWNSKOTUZPOZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.13
Rot. Bonds3

About 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole

2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole (PubChem CID 66493749) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
PubChem CID66493749
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nccc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H16N4O2/c1-13-12-15-4-2-3-5-18(15)22(13)19-20-11-10-17(21-19)14-6-8-16(9-7-14)23(24)25/h2-11,13H,12H2,1H3
InChIKeyIHBWNSKOTUZPOZ-UHFFFAOYSA-N
XLogP4.13
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole (CID 66493749) is 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole is CC1Cc2ccccc2N1c1nccc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole?
The InChIKey is IHBWNSKOTUZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-12-15-4-2-3-5-18(15)22(13)19-20-11-10-17(21-19)14-6-8-16(9-7-14)23(24)25/h2-11,13H,12H2,1H3.
What are the key properties of 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole?
2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole has a molecular weight of 332.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 66493749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).