N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine

C14H10ClFN4 — CID 163908357

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine
SMILESCc1cc(Nc2nc(Cl)ncc2F)cc2cccnc12
InChIInChI=1S/C14H10ClFN4/c1-8-5-10(6-9-3-2-4-17-12(8)9)19-13-11(16)7-18-14(15)20-13/h2-7H,1H3,(H,18,19,20)
InChIKeyQPYDYSRTUCWLJA-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.87
Rot. Bonds2

About N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine

N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine (PubChem CID 163908357) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine
PubChem CID163908357
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine
SMILESCc1cc(Nc2nc(Cl)ncc2F)cc2cccnc12
InChIInChI=1S/C14H10ClFN4/c1-8-5-10(6-9-3-2-4-17-12(8)9)19-13-11(16)7-18-14(15)20-13/h2-7H,1H3,(H,18,19,20)
InChIKeyQPYDYSRTUCWLJA-UHFFFAOYSA-N
XLogP3.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,5-dimethylphenol
CID 22060614
N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine
CID 163404144
2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
CID 87608860
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine
CID 90052787
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine (CID 163908357) is N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine is Cc1cc(Nc2nc(Cl)ncc2F)cc2cccnc12.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine?
The InChIKey is QPYDYSRTUCWLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c1-8-5-10(6-9-3-2-4-17-12(8)9)19-13-11(16)7-18-14(15)20-13/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine?
N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine has a molecular weight of 288.71 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylquinolin-6-amine is sourced from PubChem (CID 163908357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).