6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C10H11F2N3 — CID 20546183

IUPAC6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccc(F)cc2F)N1
InChIInChI=1S/C10H11F2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-2,5,9H,3-4H2,(H3,13,14,15)
InChIKeyWUJRLWRZCJZPHQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.31
Rot. Bonds1

About 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20546183) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20546183
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccc(F)cc2F)N1
InChIInChI=1S/C10H11F2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-2,5,9H,3-4H2,(H3,13,14,15)
InChIKeyWUJRLWRZCJZPHQ-UHFFFAOYSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20546183) is 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2ccc(F)cc2F)N1.
What is the InChIKey of 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is WUJRLWRZCJZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-2,5,9H,3-4H2,(H3,13,14,15).
What are the key properties of 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20546183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).