2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine

C7H9F2N3 — CID 84654592

IUPAC2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine
SMILESNCCc1nccc(C(F)F)n1
InChIInChI=1S/C7H9F2N3/c8-7(9)5-2-4-11-6(12-5)1-3-10/h2,4,7H,1,3,10H2
InChIKeyVMDRSELSOBOOMU-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.92
Rot. Bonds3

About 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine

2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine (PubChem CID 84654592) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine
PubChem CID84654592
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine
SMILESNCCc1nccc(C(F)F)n1
InChIInChI=1S/C7H9F2N3/c8-7(9)5-2-4-11-6(12-5)1-3-10/h2,4,7H,1,3,10H2
InChIKeyVMDRSELSOBOOMU-UHFFFAOYSA-N
XLogP0.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine (CID 84654592) is 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine is NCCc1nccc(C(F)F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine?
The InChIKey is VMDRSELSOBOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-7(9)5-2-4-11-6(12-5)1-3-10/h2,4,7H,1,3,10H2.
What are the key properties of 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine?
2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine has a molecular weight of 173.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 84654592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).