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

C10H9N3O3 — CID 131974169

IUPAC5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncncc1NCc1ccco1
InChIInChI=1S/C10H9N3O3/c14-10(15)9-8(5-11-6-13-9)12-4-7-2-1-3-16-7/h1-3,5-6,12H,4H2,(H,14,15)
InChIKeyGYLVTUPUMLKOKA-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.38
Rot. Bonds4

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

5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid (PubChem CID 131974169) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
PubChem CID131974169
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncncc1NCc1ccco1
InChIInChI=1S/C10H9N3O3/c14-10(15)9-8(5-11-6-13-9)12-4-7-2-1-3-16-7/h1-3,5-6,12H,4H2,(H,14,15)
InChIKeyGYLVTUPUMLKOKA-UHFFFAOYSA-N
XLogP1.38
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 102973750
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
N-[(4-tert-butylpyrimidin-5-yl)methyl]-2-(furan-2-yl)acetamide
CID 112532811
4-(furan-2-ylmethylamino)pyridine-3-sulfonamide
CID 171984499
2-(furan-2-ylmethylamino)-5-nitrobenzoic acid
CID 2725579
disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677688
4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 53270691
2-chloro-N-(furan-2-ylmethyl)pyridin-3-amine
CID 43689872

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid (CID 131974169) is 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid is O=C(O)c1ncncc1NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is GYLVTUPUMLKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-10(15)9-8(5-11-6-13-9)12-4-7-2-1-3-16-7/h1-3,5-6,12H,4H2,(H,14,15).
What are the key properties of 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid?
5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 131974169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).