4-(difluoromethyl)pyrimidin-2-amine

C5H5F2N3 — CID 84649004

IUPAC4-(difluoromethyl)pyrimidin-2-amine
SMILESNc1nccc(C(F)F)n1
InChIInChI=1S/C5H5F2N3/c6-4(7)3-1-2-9-5(8)10-3/h1-2,4H,(H2,8,9,10)
InChIKeySUVMSNKJNMLRRL-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.00
Rot. Bonds1

About 4-(difluoromethyl)pyrimidin-2-amine

4-(difluoromethyl)pyrimidin-2-amine (PubChem CID 84649004) has the molecular formula C5H5F2N3 and a molecular weight of 145.11 g/mol. Its IUPAC name is 4-(difluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)pyrimidin-2-amine
PubChem CID84649004
Molecular FormulaC5H5F2N3
Molecular Weight145.11 g/mol
Exact Mass145.05
IUPAC Name4-(difluoromethyl)pyrimidin-2-amine
SMILESNc1nccc(C(F)F)n1
InChIInChI=1S/C5H5F2N3/c6-4(7)3-1-2-9-5(8)10-3/h1-2,4H,(H2,8,9,10)
InChIKeySUVMSNKJNMLRRL-UHFFFAOYSA-N
XLogP1.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)pyrimidin-2-amine (CID 84649004) is 4-(difluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)pyrimidin-2-amine is Nc1nccc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)pyrimidin-2-amine?
The InChIKey is SUVMSNKJNMLRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3/c6-4(7)3-1-2-9-5(8)10-3/h1-2,4H,(H2,8,9,10).
What are the key properties of 4-(difluoromethyl)pyrimidin-2-amine?
4-(difluoromethyl)pyrimidin-2-amine has a molecular weight of 145.11 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 84649004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).