methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate

C15H14FN3O4 — CID 156708799

IUPACmethyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccc(OC)c(F)c2CNC=O)cn1
InChIInChI=1S/C15H14FN3O4/c1-22-12-4-3-10(11(13(12)16)7-17-8-20)9-5-18-14(19-6-9)15(21)23-2/h3-6,8H,7H2,1-2H3,(H,17,20)
InChIKeyBXLZMDSPRUMYAZ-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.32
Rot. Bonds6

About methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate

methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate (PubChem CID 156708799) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate
PubChem CID156708799
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Namemethyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccc(OC)c(F)c2CNC=O)cn1
InChIInChI=1S/C15H14FN3O4/c1-22-12-4-3-10(11(13(12)16)7-17-8-20)9-5-18-14(19-6-9)15(21)23-2/h3-6,8H,7H2,1-2H3,(H,17,20)
InChIKeyBXLZMDSPRUMYAZ-UHFFFAOYSA-N
XLogP1.32
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(6-cyano-2-fluoro-3-methoxyphenyl)methyl]formamide
CID 135369624
N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]formamide
CID 165131148
N-[[5-methoxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]formamide
CID 139563976
1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 118191628
methyl 5-(3-methylphenyl)pyrimidine-2-carboxylate
CID 142526825
methyl 2-fluoro-6-(2-formyl-4-methoxyphenyl)-3-methoxybenzoate
CID 175954957
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
CID 171538109
(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
CID 18466568
methyl 3-fluoro-4-methoxy-2-methylsulfanylbenzoate
CID 163198181

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate (CID 156708799) is methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate is COC(=O)c1ncc(-c2ccc(OC)c(F)c2CNC=O)cn1.
What is the InChIKey of methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate?
The InChIKey is BXLZMDSPRUMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-22-12-4-3-10(11(13(12)16)7-17-8-20)9-5-18-14(19-6-9)15(21)23-2/h3-6,8H,7H2,1-2H3,(H,17,20).
What are the key properties of methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate?
methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate has a molecular weight of 319.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-fluoro-2-(formamidomethyl)-4-methoxyphenyl]pyrimidine-2-carboxylate is sourced from PubChem (CID 156708799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).