6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine

C13H12ClF2N3O — CID 63734206

IUPAC6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccccc1OC(F)F
InChIInChI=1S/C13H12ClF2N3O/c1-2-8-11(14)17-7-18-12(8)19-9-5-3-4-6-10(9)20-13(15)16/h3-7,13H,2H2,1H3,(H,17,18,19)
InChIKeyKGNIFBBYBFYMKP-UHFFFAOYSA-N
MW299.71 g/mol
LogP4.04
Rot. Bonds5

About 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine

6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine (PubChem CID 63734206) has the molecular formula C13H12ClF2N3O and a molecular weight of 299.71 g/mol. Its IUPAC name is 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine
PubChem CID63734206
Molecular FormulaC13H12ClF2N3O
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1ccccc1OC(F)F
InChIInChI=1S/C13H12ClF2N3O/c1-2-8-11(14)17-7-18-12(8)19-9-5-3-4-6-10(9)20-13(15)16/h3-7,13H,2H2,1H3,(H,17,18,19)
InChIKeyKGNIFBBYBFYMKP-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine (CID 63734206) is 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1ccccc1OC(F)F.
What is the InChIKey of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine?
The InChIKey is KGNIFBBYBFYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O/c1-2-8-11(14)17-7-18-12(8)19-9-5-3-4-6-10(9)20-13(15)16/h3-7,13H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine?
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine has a molecular weight of 299.71 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(difluoromethoxy)phenyl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 63734206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).