5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine

C11H12F2N2 — CID 20546295

IUPAC5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCN1C=NCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H12F2N2/c1-15-6-8(5-14-7-15)10-4-9(12)2-3-11(10)13/h2-4,7-8H,5-6H2,1H3
InChIKeyPBICCOMLPDBWLV-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.02
Rot. Bonds1

About 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine

5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 20546295) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID20546295
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCN1C=NCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H12F2N2/c1-15-6-8(5-14-7-15)10-4-9(12)2-3-11(10)13/h2-4,7-8H,5-6H2,1H3
InChIKeyPBICCOMLPDBWLV-UHFFFAOYSA-N
XLogP2.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine (CID 20546295) is 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is CN1C=NCC(c2cc(F)ccc2F)C1.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is PBICCOMLPDBWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-15-6-8(5-14-7-15)10-4-9(12)2-3-11(10)13/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine?
5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 210.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 20546295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).