2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline

C15H15F2N3 — CID 133422469

IUPAC2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCCc1ncnc(N2CCc3cc(F)ccc3C2)c1F
InChIInChI=1S/C15H15F2N3/c1-2-13-14(17)15(19-9-18-13)20-6-5-10-7-12(16)4-3-11(10)8-20/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOKJMOGPKCSUXEE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.88
Rot. Bonds2

About 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline

2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline (PubChem CID 133422469) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
PubChem CID133422469
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
SMILESCCc1ncnc(N2CCc3cc(F)ccc3C2)c1F
InChIInChI=1S/C15H15F2N3/c1-2-13-14(17)15(19-9-18-13)20-6-5-10-7-12(16)4-3-11(10)8-20/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOKJMOGPKCSUXEE-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133422341
2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422516
2-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-amine
CID 167878386
4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 155974017
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 133418605
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
2-(5-bromo-3-nitro-2-pyridinyl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422402
N-[3,5-difluoro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 158935251
4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139022999
1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 103880054

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline (CID 133422469) is 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline is CCc1ncnc(N2CCc3cc(F)ccc3C2)c1F.
What is the InChIKey of 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
The InChIKey is OKJMOGPKCSUXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-2-13-14(17)15(19-9-18-13)20-6-5-10-7-12(16)4-3-11(10)8-20/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline?
2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline has a molecular weight of 275.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133422469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).