(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone

C15H15N3O — CID 110863859

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)ncn1
InChIInChI=1S/C15H15N3O/c1-10-7-13(17-9-16-10)15(19)18-11(2)8-12-5-3-4-6-14(12)18/h3-7,9,11H,8H2,1-2H3
InChIKeySCEUHTVKLVFPNC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.38
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone (PubChem CID 110863859) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
PubChem CID110863859
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)ncn1
InChIInChI=1S/C15H15N3O/c1-10-7-13(17-9-16-10)15(19)18-11(2)8-12-5-3-4-6-14(12)18/h3-7,9,11H,8H2,1-2H3
InChIKeySCEUHTVKLVFPNC-UHFFFAOYSA-N
XLogP2.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-ethoxypyrimidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124877322
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
[6-(2,5-dimethylanilino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109356866
[6-(butylamino)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109339981
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109330593
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone (CID 110863859) is (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2c3ccccc3CC2C)ncn1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone?
The InChIKey is SCEUHTVKLVFPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-13(17-9-16-10)15(19)18-11(2)8-12-5-3-4-6-14(12)18/h3-7,9,11H,8H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone has a molecular weight of 253.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 110863859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).