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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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).