[4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea

C7H6F4N4O3 — CID 54372752

IUPAC[4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea
SMILESNC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N4O3/c8-4(9)17-2-1-3(18-5(10)11)14-7(13-2)15-6(12)16/h1,4-5H,(H3,12,13,14,15,16)
InChIKeyUUJHHZZLDMFYTF-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.17
Rot. Bonds5

About [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea

[4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea (PubChem CID 54372752) has the molecular formula C7H6F4N4O3 and a molecular weight of 270.14 g/mol. Its IUPAC name is [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea.

Molecular Properties

Compound Name[4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea
PubChem CID54372752
Molecular FormulaC7H6F4N4O3
Molecular Weight270.14 g/mol
Exact Mass270.04
IUPAC Name[4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea
SMILESNC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N4O3/c8-4(9)17-2-1-3(18-5(10)11)14-7(13-2)15-6(12)16/h1,4-5H,(H3,12,13,14,15,16)
InChIKeyUUJHHZZLDMFYTF-UHFFFAOYSA-N
XLogP1.17
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea?
The IUPAC name of [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea (CID 54372752) is [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea.
What is the SMILES notation for [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea?
The canonical SMILES for [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea is NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1.
What is the InChIKey of [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea?
The InChIKey is UUJHHZZLDMFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N4O3/c8-4(9)17-2-1-3(18-5(10)11)14-7(13-2)15-6(12)16/h1,4-5H,(H3,12,13,14,15,16).
What are the key properties of [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea?
[4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea has a molecular weight of 270.14 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(difluoromethoxy)pyrimidin-2-yl]urea is sourced from PubChem (CID 54372752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).