6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid

C16H13N3O3 — CID 82170122

IUPAC6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O3/c20-16(21)13-9-14(17-10-12-7-4-8-22-12)19-15(18-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21)(H,17,18,19)
InChIKeyUXIPPIMTJOXEFF-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.05
Rot. Bonds5

About 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid

6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid (PubChem CID 82170122) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
PubChem CID82170122
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O3/c20-16(21)13-9-14(17-10-12-7-4-8-22-12)19-15(18-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21)(H,17,18,19)
InChIKeyUXIPPIMTJOXEFF-UHFFFAOYSA-N
XLogP3.05
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-ylmethylamino)-2-(3-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170124
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
6-(furan-2-ylmethylamino)-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170123
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid (CID 82170122) is 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid is O=C(O)c1cc(NCc2ccco2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid?
The InChIKey is UXIPPIMTJOXEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(21)13-9-14(17-10-12-7-4-8-22-12)19-15(18-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21)(H,17,18,19).
What are the key properties of 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid?
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).