5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine

C14H11FN4 — CID 103144237

IUPAC5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2cccc3ccncc23)n1
InChIInChI=1S/C14H11FN4/c1-16-14-18-8-12(15)13(19-14)10-4-2-3-9-5-6-17-7-11(9)10/h2-8H,1H3,(H,16,18,19)
InChIKeyHHEDBYIZORJJFJ-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.87
Rot. Bonds2

About 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine

5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine (PubChem CID 103144237) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine
PubChem CID103144237
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2cccc3ccncc23)n1
InChIInChI=1S/C14H11FN4/c1-16-14-18-8-12(15)13(19-14)10-4-2-3-9-5-6-17-7-11(9)10/h2-8H,1H3,(H,16,18,19)
InChIKeyHHEDBYIZORJJFJ-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 102709103
N-ethyl-3-isoquinolin-8-ylpyrazin-2-amine
CID 103144319
8-(2-fluoro-4-methylphenyl)isoquinoline
CID 90260610
3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
CID 103144312
5-fluoro-4-imidazo[1,2-a]pyridin-5-yl-N-methylpyrimidin-2-amine
CID 102627276
N-ethyl-4-isoquinolin-8-ylpyrimidin-2-amine
CID 103144236
8-bromo-1-isoquinolin-8-ylisoquinoline
CID 67483045
1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
CID 103143946
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
CID 103144000
5-chloro-6-isoquinolin-8-ylpyrimidin-4-amine
CID 114049699

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine (CID 103144237) is 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine is CNc1ncc(F)c(-c2cccc3ccncc23)n1.
What is the InChIKey of 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine?
The InChIKey is HHEDBYIZORJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c1-16-14-18-8-12(15)13(19-14)10-4-2-3-9-5-6-17-7-11(9)10/h2-8H,1H3,(H,16,18,19).
What are the key properties of 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine?
5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine has a molecular weight of 254.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 103144237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).