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

C21H19FN4O — CID 109336761

IUPAC[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C21H19FN4O/c1-13-11-18(25-21(23-13)24-17-9-5-4-8-16(17)22)20(27)26-14(2)12-15-7-3-6-10-19(15)26/h3-11,14H,12H2,1-2H3,(H,23,24,25)
InChIKeyPWYOQMVYKOJINE-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.26
Rot. Bonds3

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

[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109336761) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109336761
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2c3ccccc3CC2C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C21H19FN4O/c1-13-11-18(25-21(23-13)24-17-9-5-4-8-16(17)22)20(27)26-14(2)12-15-7-3-6-10-19(15)26/h3-11,14H,12H2,1-2H3,(H,23,24,25)
InChIKeyPWYOQMVYKOJINE-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
N-(2-fluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929425
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
[6-(3,4-difluoroanilino)-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112851113
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 138012732
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222586
methyl 2-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109318302

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109336761) is [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cc(C(=O)N2c3ccccc3CC2C)nc(Nc2ccccc2F)n1.
What is the InChIKey of [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PWYOQMVYKOJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13-11-18(25-21(23-13)24-17-9-5-4-8-16(17)22)20(27)26-14(2)12-15-7-3-6-10-19(15)26/h3-11,14H,12H2,1-2H3,(H,23,24,25).
What are the key properties of [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 362.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109336761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).