2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine

C10H10F2N2 — CID 129104347

IUPAC2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1ccc(C2=NCCCN2)c(F)c1
InChIInChI=1S/C10H10F2N2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyOKGDYBJQZHNBKI-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.70
Rot. Bonds1

About 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine

2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 129104347) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID129104347
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1ccc(C2=NCCCN2)c(F)c1
InChIInChI=1S/C10H10F2N2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyOKGDYBJQZHNBKI-UHFFFAOYSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine (CID 129104347) is 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine is Fc1ccc(C2=NCCCN2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is OKGDYBJQZHNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 196.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 129104347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).