[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H16Cl2N4O — CID 109270569

IUPAC[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C20H16Cl2N4O/c1-12-6-13-4-2-3-5-18(13)26(12)19(27)14-10-23-20(24-11-14)25-17-8-15(21)7-16(22)9-17/h2-5,7-12H,6H2,1H3,(H,23,24,25)
InChIKeyCQTYOMJCFIPYMC-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.12
Rot. Bonds3

About [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109270569) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109270569
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C20H16Cl2N4O/c1-12-6-13-4-2-3-5-18(13)26(12)19(27)14-10-23-20(24-11-14)25-17-8-15(21)7-16(22)9-17/h2-5,7-12H,6H2,1H3,(H,23,24,25)
InChIKeyCQTYOMJCFIPYMC-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
[6-(3-chloroanilino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109163427
[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
(2-methyl-2,3-dihydroindol-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-5-yl]methanone
CID 109267896
(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109270011
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109269735
[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109164801
N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
[2-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109257363
methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109164639
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109258313
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109270569) is [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CQTYOMJCFIPYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c1-12-6-13-4-2-3-5-18(13)26(12)19(27)14-10-23-20(24-11-14)25-17-8-15(21)7-16(22)9-17/h2-5,7-12H,6H2,1H3,(H,23,24,25).
What are the key properties of [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 399.28 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109270569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).