2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine

C11H8ClF2N3O — CID 62336208

IUPAC2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)Oc1ccccc1Nc1ccnc(Cl)n1
InChIInChI=1S/C11H8ClF2N3O/c12-10-15-6-5-9(17-10)16-7-3-1-2-4-8(7)18-11(13)14/h1-6,11H,(H,15,16,17)
InChIKeyPROAEZKQIAKVLK-UHFFFAOYSA-N
MW271.65 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine

2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 62336208) has the molecular formula C11H8ClF2N3O and a molecular weight of 271.65 g/mol. Its IUPAC name is 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID62336208
Molecular FormulaC11H8ClF2N3O
Molecular Weight271.65 g/mol
Exact Mass271.03
IUPAC Name2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)Oc1ccccc1Nc1ccnc(Cl)n1
InChIInChI=1S/C11H8ClF2N3O/c12-10-15-6-5-9(17-10)16-7-3-1-2-4-8(7)18-11(13)14/h1-6,11H,(H,15,16,17)
InChIKeyPROAEZKQIAKVLK-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine (CID 62336208) is 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)Oc1ccccc1Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is PROAEZKQIAKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O/c12-10-15-6-5-9(17-10)16-7-3-1-2-4-8(7)18-11(13)14/h1-6,11H,(H,15,16,17).
What are the key properties of 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 271.65 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 62336208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).