2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine

C14H15F2N3O — CID 62204014

IUPAC2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC(F)F)cc2)nc(C)c1C
InChIInChI=1S/C14H15F2N3O/c1-8-9(2)18-13(19-12(8)17-3)10-4-6-11(7-5-10)20-14(15)16/h4-7,14H,1-3H3,(H,17,18,19)
InChIKeyYIXQFKCNPPOIBI-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine

2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 62204014) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine
PubChem CID62204014
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC(F)F)cc2)nc(C)c1C
InChIInChI=1S/C14H15F2N3O/c1-8-9(2)18-13(19-12(8)17-3)10-4-6-11(7-5-10)20-14(15)16/h4-7,14H,1-3H3,(H,17,18,19)
InChIKeyYIXQFKCNPPOIBI-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine (CID 62204014) is 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(-c2ccc(OC(F)F)cc2)nc(C)c1C.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is YIXQFKCNPPOIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8-9(2)18-13(19-12(8)17-3)10-4-6-11(7-5-10)20-14(15)16/h4-7,14H,1-3H3,(H,17,18,19).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine?
2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 62204014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).