5-benzyl-4-(difluoromethyl)pyrimidin-2-amine

C12H11F2N3 — CID 175730745

IUPAC5-benzyl-4-(difluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(Cc2ccccc2)c(C(F)F)n1
InChIInChI=1S/C12H11F2N3/c13-11(14)10-9(7-16-12(15)17-10)6-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H2,15,16,17)
InChIKeyUGIZQEZYAAHZTN-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.59
Rot. Bonds3

About 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine

5-benzyl-4-(difluoromethyl)pyrimidin-2-amine (PubChem CID 175730745) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(difluoromethyl)pyrimidin-2-amine
PubChem CID175730745
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name5-benzyl-4-(difluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(Cc2ccccc2)c(C(F)F)n1
InChIInChI=1S/C12H11F2N3/c13-11(14)10-9(7-16-12(15)17-10)6-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H2,15,16,17)
InChIKeyUGIZQEZYAAHZTN-UHFFFAOYSA-N
XLogP2.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine (CID 175730745) is 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine is Nc1ncc(Cc2ccccc2)c(C(F)F)n1.
What is the InChIKey of 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine?
The InChIKey is UGIZQEZYAAHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-11(14)10-9(7-16-12(15)17-10)6-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H2,15,16,17).
What are the key properties of 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine?
5-benzyl-4-(difluoromethyl)pyrimidin-2-amine has a molecular weight of 235.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(difluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).