5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine

C14H10ClFN4 — CID 171660570

IUPAC5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
SMILESCc1ccnc2c(F)cc(-c3nc(N)ncc3Cl)cc12
InChIInChI=1S/C14H10ClFN4/c1-7-2-3-18-13-9(7)4-8(5-11(13)16)12-10(15)6-19-14(17)20-12/h2-6H,1H3,(H2,17,19,20)
InChIKeyCYAXQQPJVBFRQT-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.37
Rot. Bonds1

About 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine

5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine (PubChem CID 171660570) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
PubChem CID171660570
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
SMILESCc1ccnc2c(F)cc(-c3nc(N)ncc3Cl)cc12
InChIInChI=1S/C14H10ClFN4/c1-7-2-3-18-13-9(7)4-8(5-11(13)16)12-10(15)6-19-14(17)20-12/h2-6H,1H3,(H2,17,19,20)
InChIKeyCYAXQQPJVBFRQT-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

[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol
CID 176977018
2-[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluorocinnolin-3-yl]propan-2-ol
CID 176685568
6-bromo-4-ethyl-8-fluoroquinoline;6-bromo-8-fluoro-4-methylquinoline;bis(6-(4-ethyl-8-fluoroquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine)
CID 160860411
8-fluoro-6-[5-(4-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666155
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine
CID 150015395
8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
CID 166666172
2-[6-(2-amino-5-chloropyrimidin-4-yl)-4-chloro-8-fluoroquinolin-3-yl]propan-2-ol;oxepan-3-ol
CID 176685721
5-chloro-8-fluoroquinazolin-2-amine
CID 155895299
5-chloro-4-(4-chlorothieno[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 171660023
6-(8-fluoro-4-methylquinolin-6-yl)-7-pyridin-4-yl-1H-1,8-naphthyridin-4-one
CID 137438169
6-(8-fluoro-4-methylquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-4-one
CID 137438796

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine (CID 171660570) is 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine is Cc1ccnc2c(F)cc(-c3nc(N)ncc3Cl)cc12.
What is the InChIKey of 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine?
The InChIKey is CYAXQQPJVBFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c1-7-2-3-18-13-9(7)4-8(5-11(13)16)12-10(15)6-19-14(17)20-12/h2-6H,1H3,(H2,17,19,20).
What are the key properties of 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine?
5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-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 5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 171660570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).