6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine

C11H9ClFN3 — CID 63735765

IUPAC6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(F)cc1
InChIInChI=1S/C11H9ClFN3/c1-7-10(12)14-6-15-11(7)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15,16)
InChIKeyMAOJLVMVENXAKH-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.32
Rot. Bonds2

About 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine

6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 63735765) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
PubChem CID63735765
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(F)cc1
InChIInChI=1S/C11H9ClFN3/c1-7-10(12)14-6-15-11(7)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15,16)
InChIKeyMAOJLVMVENXAKH-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine (CID 63735765) is 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is MAOJLVMVENXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-7-10(12)14-6-15-11(7)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 237.67 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63735765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).