6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione

C17H13F2N3O2 — CID 144763367

IUPAC6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H13F2N3O2/c18-12-6-13(19)8-14(7-12)22-16(23)9-15(21-17(22)24)20-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,21,24)
InChIKeyNOZLYGIAYHUVDH-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.42
Rot. Bonds4

About 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione

6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 144763367) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID144763367
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H13F2N3O2/c18-12-6-13(19)8-14(7-12)22-16(23)9-15(21-17(22)24)20-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,21,24)
InChIKeyNOZLYGIAYHUVDH-UHFFFAOYSA-N
XLogP2.42
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione (CID 144763367) is 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione is O=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1cc(F)cc(F)c1.
What is the InChIKey of 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is NOZLYGIAYHUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-12-6-13(19)8-14(7-12)22-16(23)9-15(21-17(22)24)20-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,21,24).
What are the key properties of 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 329.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-3-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144763367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).