4-(difluoromethyl)-5-methylpyrimidin-2-amine

C6H7F2N3 — CID 122501274

IUPAC4-(difluoromethyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1C(F)F
InChIInChI=1S/C6H7F2N3/c1-3-2-10-6(9)11-4(3)5(7)8/h2,5H,1H3,(H2,9,10,11)
InChIKeyCSFAMXUTYWQTOM-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.30
Rot. Bonds1

About 4-(difluoromethyl)-5-methylpyrimidin-2-amine

4-(difluoromethyl)-5-methylpyrimidin-2-amine (PubChem CID 122501274) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methylpyrimidin-2-amine
PubChem CID122501274
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name4-(difluoromethyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1C(F)F
InChIInChI=1S/C6H7F2N3/c1-3-2-10-6(9)11-4(3)5(7)8/h2,5H,1H3,(H2,9,10,11)
InChIKeyCSFAMXUTYWQTOM-UHFFFAOYSA-N
XLogP1.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-methylpyrimidin-2-amine (CID 122501274) is 4-(difluoromethyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methylpyrimidin-2-amine?
The InChIKey is CSFAMXUTYWQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3/c1-3-2-10-6(9)11-4(3)5(7)8/h2,5H,1H3,(H2,9,10,11).
What are the key properties of 4-(difluoromethyl)-5-methylpyrimidin-2-amine?
4-(difluoromethyl)-5-methylpyrimidin-2-amine has a molecular weight of 159.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 122501274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).