1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide

C16H15FN4O3 — CID 59509071

IUPAC1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C2(C(N)=O)CC2)ncn1
InChIInChI=1S/C16H15FN4O3/c1-24-12-3-2-9(17)6-10(12)11-7-13(20-8-19-11)21-15(23)16(4-5-16)14(18)22/h2-3,6-8H,4-5H2,1H3,(H2,18,22)(H,19,20,21,23)
InChIKeyXPISCKGHTONQMF-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.50
Rot. Bonds5

About 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide

1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 59509071) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
PubChem CID59509071
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C2(C(N)=O)CC2)ncn1
InChIInChI=1S/C16H15FN4O3/c1-24-12-3-2-9(17)6-10(12)11-7-13(20-8-19-11)21-15(23)16(4-5-16)14(18)22/h2-3,6-8H,4-5H2,1H3,(H2,18,22)(H,19,20,21,23)
InChIKeyXPISCKGHTONQMF-UHFFFAOYSA-N
XLogP1.50
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509076
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
CID 59508979
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 59509109
[1-tert-butyl-4-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]cyclohexyl] carbamate
CID 175855104
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59509139
[2-[6-(5-carbamoyl-2-fluoro-4-methoxyanilino)pyrimidin-4-yl]-4-fluorophenyl]-methylideneoxidanium
CID 137104453
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 53010126
4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53104131

Frequently Asked Questions

What is the IUPAC name of 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide (CID 59509071) is 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide is COc1ccc(F)cc1-c1cc(NC(=O)C2(C(N)=O)CC2)ncn1.
What is the InChIKey of 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is XPISCKGHTONQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-24-12-3-2-9(17)6-10(12)11-7-13(20-8-19-11)21-15(23)16(4-5-16)14(18)22/h2-3,6-8H,4-5H2,1H3,(H2,18,22)(H,19,20,21,23).
What are the key properties of 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 59509071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).