2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine

C14H10ClFN4 — CID 115960312

IUPAC2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(Cl)c3cccnc23)nc(N)c1F
InChIInChI=1S/C14H10ClFN4/c1-7-11(16)13(17)20-14(19-7)9-4-5-10(15)8-3-2-6-18-12(8)9/h2-6H,1H3,(H2,17,19,20)
InChIKeyGZYWZJDTWXDFTK-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.37
Rot. Bonds1

About 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine

2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 115960312) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID115960312
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(Cl)c3cccnc23)nc(N)c1F
InChIInChI=1S/C14H10ClFN4/c1-7-11(16)13(17)20-14(19-7)9-4-5-10(15)8-3-2-6-18-12(8)9/h2-6H,1H3,(H2,17,19,20)
InChIKeyGZYWZJDTWXDFTK-UHFFFAOYSA-N
XLogP3.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
CID 112618090
5-bromo-6-methyl-2-quinolin-8-ylpyrimidin-4-amine
CID 66303614
5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115960154
5-(5-chloroquinolin-8-yl)-2,3-diethylimidazol-4-amine
CID 115960255
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
5-chloroquinoline-8-diazonium tetrafluoroborate
CID 116785907
2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
8-chloro-5-fluoroquinoline
CID 53435993
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 115960312) is 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(-c2ccc(Cl)c3cccnc23)nc(N)c1F.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is GZYWZJDTWXDFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c1-7-11(16)13(17)20-14(19-7)9-4-5-10(15)8-3-2-6-18-12(8)9/h2-6H,1H3,(H2,17,19,20).
What are the key properties of 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine?
2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 288.71 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 115960312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).