4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid

C11H10N2O3S — CID 102973750

IUPAC4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CSCc1ccco1
InChIInChI=1S/C11H10N2O3S/c14-11(15)9-4-12-7-13-10(9)6-17-5-8-2-1-3-16-8/h1-4,7H,5-6H2,(H,14,15)
InChIKeyHIUGRNDABVFROC-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.20
Rot. Bonds5

About 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid

4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid (PubChem CID 102973750) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid
PubChem CID102973750
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CSCc1ccco1
InChIInChI=1S/C11H10N2O3S/c14-11(15)9-4-12-7-13-10(9)6-17-5-8-2-1-3-16-8/h1-4,7H,5-6H2,(H,14,15)
InChIKeyHIUGRNDABVFROC-UHFFFAOYSA-N
XLogP2.20
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-amino-2-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973843
4-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973769
3-(furan-2-ylmethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 55182251
4-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973824
3-amino-2-(furan-2-ylmethylsulfanyl)benzoic acid
CID 112580051
2-amino-6-(furan-2-ylmethylsulfanylmethyl)benzoic acid
CID 113457461
5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 131974169
4-[(2,4-dimethylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973740
3-fluoro-2-(furan-2-ylmethylsulfanyl)benzoic acid
CID 62648594
furan-2-ylmethylsulfanylformic acid
CID 87843424
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
CID 103183368

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid (CID 102973750) is 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1CSCc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid?
The InChIKey is HIUGRNDABVFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-11(15)9-4-12-7-13-10(9)6-17-5-8-2-1-3-16-8/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid?
4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).