1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea

C10H12F2N4O2 — CID 170038279

IUPAC1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea
SMILESO=C(NCc1cc(OC(F)F)ncn1)NC1CC1
InChIInChI=1S/C10H12F2N4O2/c11-9(12)18-8-3-7(14-5-15-8)4-13-10(17)16-6-1-2-6/h3,5-6,9H,1-2,4H2,(H2,13,16,17)
InChIKeyVMGLMIJTXBHSJZ-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.04
Rot. Bonds5

About 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea

1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea (PubChem CID 170038279) has the molecular formula C10H12F2N4O2 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea
PubChem CID170038279
Molecular FormulaC10H12F2N4O2
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea
SMILESO=C(NCc1cc(OC(F)F)ncn1)NC1CC1
InChIInChI=1S/C10H12F2N4O2/c11-9(12)18-8-3-7(14-5-15-8)4-13-10(17)16-6-1-2-6/h3,5-6,9H,1-2,4H2,(H2,13,16,17)
InChIKeyVMGLMIJTXBHSJZ-UHFFFAOYSA-N
XLogP1.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea (CID 170038279) is 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea is O=C(NCc1cc(OC(F)F)ncn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea?
The InChIKey is VMGLMIJTXBHSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2/c11-9(12)18-8-3-7(14-5-15-8)4-13-10(17)16-6-1-2-6/h3,5-6,9H,1-2,4H2,(H2,13,16,17).
What are the key properties of 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea?
1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea has a molecular weight of 258.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[6-(difluoromethoxy)pyrimidin-4-yl]methyl]urea is sourced from PubChem (CID 170038279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).