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

C13H9ClFN5 — CID 163404144

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine
SMILESCc1cccc2c(Nc3nc(Cl)ncc3F)cnnc12
InChIInChI=1S/C13H9ClFN5/c1-7-3-2-4-8-10(6-17-20-11(7)8)18-12-9(15)5-16-13(14)19-12/h2-6H,1H3,(H,16,18,19,20)
InChIKeyCNINKOSIFOSXDK-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.26
Rot. Bonds2

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

N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine (PubChem CID 163404144) has the molecular formula C13H9ClFN5 and a molecular weight of 289.70 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine
PubChem CID163404144
Molecular FormulaC13H9ClFN5
Molecular Weight289.70 g/mol
Exact Mass289.05
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine
SMILESCc1cccc2c(Nc3nc(Cl)ncc3F)cnnc12
InChIInChI=1S/C13H9ClFN5/c1-7-3-2-4-8-10(6-17-20-11(7)8)18-12-9(15)5-16-13(14)19-12/h2-6H,1H3,(H,16,18,19,20)
InChIKeyCNINKOSIFOSXDK-UHFFFAOYSA-N
XLogP3.26
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine (CID 163404144) is N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine is Cc1cccc2c(Nc3nc(Cl)ncc3F)cnnc12.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine?
The InChIKey is CNINKOSIFOSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5/c1-7-3-2-4-8-10(6-17-20-11(7)8)18-12-9(15)5-16-13(14)19-12/h2-6H,1H3,(H,16,18,19,20).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine?
N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine has a molecular weight of 289.70 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine is sourced from PubChem (CID 163404144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).