2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide

C15H13F2N5O4 — CID 10338840

IUPAC2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide
SMILESCOC(Cn1c(-c2cc(F)cc(F)c2)ncc(C(=O)N=[N+]=[N-])c1=O)OC
InChIInChI=1S/C15H13F2N5O4/c1-25-12(26-2)7-22-13(8-3-9(16)5-10(17)4-8)19-6-11(15(22)24)14(23)20-21-18/h3-6,12H,7H2,1-2H3
InChIKeyRCTJQAPJWUQXBK-UHFFFAOYSA-N
MW365.30 g/mol
LogP2.26
Rot. Bonds6

About 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide

2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide (PubChem CID 10338840) has the molecular formula C15H13F2N5O4 and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide
PubChem CID10338840
Molecular FormulaC15H13F2N5O4
Molecular Weight365.30 g/mol
Exact Mass365.09
IUPAC Name2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide
SMILESCOC(Cn1c(-c2cc(F)cc(F)c2)ncc(C(=O)N=[N+]=[N-])c1=O)OC
InChIInChI=1S/C15H13F2N5O4/c1-25-12(26-2)7-22-13(8-3-9(16)5-10(17)4-8)19-6-11(15(22)24)14(23)20-21-18/h3-6,12H,7H2,1-2H3
InChIKeyRCTJQAPJWUQXBK-UHFFFAOYSA-N
XLogP2.26
TPSA119.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide (CID 10338840) is 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide is COC(Cn1c(-c2cc(F)cc(F)c2)ncc(C(=O)N=[N+]=[N-])c1=O)OC.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide?
The InChIKey is RCTJQAPJWUQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O4/c1-25-12(26-2)7-22-13(8-3-9(16)5-10(17)4-8)19-6-11(15(22)24)14(23)20-21-18/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide?
2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide has a molecular weight of 365.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)-6-oxopyrimidine-5-carbonyl azide is sourced from PubChem (CID 10338840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).