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

C14H12ClF2N3O — CID 80945139

IUPAC6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)Oc1ccccc1Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H12ClF2N3O/c15-11-7-12(20-13(19-11)8-5-6-8)18-9-3-1-2-4-10(9)21-14(16)17/h1-4,7-8,14H,5-6H2,(H,18,19,20)
InChIKeyAFRLYBFIVCEXPQ-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.35
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 80945139) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID80945139
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)Oc1ccccc1Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H12ClF2N3O/c15-11-7-12(20-13(19-11)8-5-6-8)18-9-3-1-2-4-10(9)21-14(16)17/h1-4,7-8,14H,5-6H2,(H,18,19,20)
InChIKeyAFRLYBFIVCEXPQ-UHFFFAOYSA-N
XLogP4.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine (CID 80945139) is 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)Oc1ccccc1Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is AFRLYBFIVCEXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c15-11-7-12(20-13(19-11)8-5-6-8)18-9-3-1-2-4-10(9)21-14(16)17/h1-4,7-8,14H,5-6H2,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 311.72 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80945139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).