4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde

C15H15N3O3 — CID 15349640

IUPAC4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(OC)c(C=O)c(N2CCc3ccccc32)n1
InChIInChI=1S/C15H15N3O3/c1-20-14-11(9-19)13(16-15(17-14)21-2)18-8-7-10-5-3-4-6-12(10)18/h3-6,9H,7-8H2,1-2H3
InChIKeyGVUBEGRVBIJRIC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.00
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde

4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde (PubChem CID 15349640) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde
PubChem CID15349640
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(OC)c(C=O)c(N2CCc3ccccc32)n1
InChIInChI=1S/C15H15N3O3/c1-20-14-11(9-19)13(16-15(17-14)21-2)18-8-7-10-5-3-4-6-12(10)18/h3-6,9H,7-8H2,1-2H3
InChIKeyGVUBEGRVBIJRIC-UHFFFAOYSA-N
XLogP2.00
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde 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

3-(2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985180
1-(4-methoxy-6-methylpyrimidin-2-yl)-2,3-dihydroindole
CID 43817662
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
2-amino-4-(2,3-dihydroindol-1-yl)benzaldehyde
CID 89323258
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508921
4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
CID 63672438
2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721487
6-(2,3-dihydroindol-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 43260703
3-(2,3-dihydroindol-1-yl)pyridazine-4-carbothioamide
CID 80511988
5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one
CID 135709705

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde (CID 15349640) is 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde is COc1nc(OC)c(C=O)c(N2CCc3ccccc32)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde?
The InChIKey is GVUBEGRVBIJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-14-11(9-19)13(16-15(17-14)21-2)18-8-7-10-5-3-4-6-12(10)18/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde?
4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde has a molecular weight of 285.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-2,6-dimethoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 15349640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).