2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone

C19H24N4O — CID 109333320

IUPAC2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
SMILESCCCCCNc1nc(C)cc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C19H24N4O/c1-3-4-7-11-20-19-21-14(2)13-16(22-19)18(24)23-12-10-15-8-5-6-9-17(15)23/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,20,21,22)
InChIKeyPVARONQQDFHFIO-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.59
Rot. Bonds6

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

2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone (PubChem CID 109333320) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
PubChem CID109333320
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
SMILESCCCCCNc1nc(C)cc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C19H24N4O/c1-3-4-7-11-20-19-21-14(2)13-16(22-19)18(24)23-12-10-15-8-5-6-9-17(15)23/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,20,21,22)
InChIKeyPVARONQQDFHFIO-UHFFFAOYSA-N
XLogP3.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-tert-butylanilino)-6-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109335464
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318902
2,3-dihydroindol-1-yl-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335480
[2-(butylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109296398
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone
CID 109300052
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
methyl 2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109335497
2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335514
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-pentylpyrimidin-2-amine
CID 112920323
[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109335606

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone (CID 109333320) is 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone is CCCCCNc1nc(C)cc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone?
The InChIKey is PVARONQQDFHFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-4-7-11-20-19-21-14(2)13-16(22-19)18(24)23-12-10-15-8-5-6-9-17(15)23/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,20,21,22).
What are the key properties of 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109333320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).