2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone

C17H20N4O2 — CID 109300052

IUPAC2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone
SMILESCOCCCNc1nccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C17H20N4O2/c1-23-12-4-9-18-17-19-10-7-14(20-17)16(22)21-11-8-13-5-2-3-6-15(13)21/h2-3,5-7,10H,4,8-9,11-12H2,1H3,(H,18,19,20)
InChIKeyAQPRDHQFEQSRHQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone

2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone (PubChem CID 109300052) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone
PubChem CID109300052
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone
SMILESCOCCCNc1nccc(C(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C17H20N4O2/c1-23-12-4-9-18-17-19-10-7-14(20-17)16(22)21-11-8-13-5-2-3-6-15(13)21/h2-3,5-7,10H,4,8-9,11-12H2,1H3,(H,18,19,20)
InChIKeyAQPRDHQFEQSRHQ-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(butylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109296398
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
2,3-dihydroindol-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109296005
2,3-dihydroindol-1-yl-[2-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109314490
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
CID 109333320
2,3-dihydroindol-1-yl-[2-(4-ethylanilino)pyrimidin-4-yl]methanone
CID 109314466
3,4-dihydro-2H-quinolin-1-yl-[2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109303958
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109309749
3,4-dihydro-2H-quinolin-1-yl-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307503
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone (CID 109300052) is 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone is COCCCNc1nccc(C(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone?
The InChIKey is AQPRDHQFEQSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-12-4-9-18-17-19-10-7-14(20-17)16(22)21-11-8-13-5-2-3-6-15(13)21/h2-3,5-7,10H,4,8-9,11-12H2,1H3,(H,18,19,20).
What are the key properties of 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(3-methoxypropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).