4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide

C15H14FN3O3 — CID 139017294

IUPAC4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide
SMILESNC(=O)c1ccc(OCc2cc(=O)[nH]c(C3CC3)n2)c(F)c1
InChIInChI=1S/C15H14FN3O3/c16-11-5-9(14(17)21)3-4-12(11)22-7-10-6-13(20)19-15(18-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,21)(H,18,19,20)
InChIKeyPDRBTHDHFVPLLO-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.46
Rot. Bonds5

About 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide

4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide (PubChem CID 139017294) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide
PubChem CID139017294
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide
SMILESNC(=O)c1ccc(OCc2cc(=O)[nH]c(C3CC3)n2)c(F)c1
InChIInChI=1S/C15H14FN3O3/c16-11-5-9(14(17)21)3-4-12(11)22-7-10-6-13(20)19-15(18-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,21)(H,18,19,20)
InChIKeyPDRBTHDHFVPLLO-UHFFFAOYSA-N
XLogP1.46
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide?
The IUPAC name of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide (CID 139017294) is 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide is NC(=O)c1ccc(OCc2cc(=O)[nH]c(C3CC3)n2)c(F)c1.
What is the InChIKey of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide?
The InChIKey is PDRBTHDHFVPLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-5-9(14(17)21)3-4-12(11)22-7-10-6-13(20)19-15(18-10)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,21)(H,18,19,20).
What are the key properties of 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide?
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide has a molecular weight of 303.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methoxy]-3-fluorobenzamide is sourced from PubChem (CID 139017294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).