1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole

C15H15ClFN3O — CID 103500895

IUPAC1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
SMILESCCOCc1nc(Cl)cc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-21-9-14-18-13(16)8-15(19-14)20-6-5-10-3-4-11(17)7-12(10)20/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyBHIUNGXHWFRWSG-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.50
Rot. Bonds4

About 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole (PubChem CID 103500895) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
PubChem CID103500895
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
SMILESCCOCc1nc(Cl)cc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C15H15ClFN3O/c1-2-21-9-14-18-13(16)8-15(19-14)20-6-5-10-3-4-11(17)7-12(10)20/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyBHIUNGXHWFRWSG-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole 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

1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
CID 103500848
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 103504469
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103502907
1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501443
[2-(6-fluoro-2,3-dihydroindol-1-yl)-6-methyl-4-pyridinyl]methanol
CID 103501402
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxypyridin-3-amine
CID 103493912
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 113401051
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103502851
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501441
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole (CID 103500895) is 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole is CCOCc1nc(Cl)cc(N2CCc3ccc(F)cc32)n1.
What is the InChIKey of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole?
The InChIKey is BHIUNGXHWFRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-21-9-14-18-13(16)8-15(19-14)20-6-5-10-3-4-11(17)7-12(10)20/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole?
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole has a molecular weight of 307.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103500895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).