5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid

C15H17N3O4 — CID 120687786

IUPAC5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1ncc(C(=O)NCc2ccc(C(=O)O)o2)c(C(C)C)n1
InChIInChI=1S/C15H17N3O4/c1-8(2)13-11(7-16-9(3)18-13)14(19)17-6-10-4-5-12(22-10)15(20)21/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRLOJISMOCBHUEX-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.13
Rot. Bonds5

About 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 120687786) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID120687786
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1ncc(C(=O)NCc2ccc(C(=O)O)o2)c(C(C)C)n1
InChIInChI=1S/C15H17N3O4/c1-8(2)13-11(7-16-9(3)18-13)14(19)17-6-10-4-5-12(22-10)15(20)21/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRLOJISMOCBHUEX-UHFFFAOYSA-N
XLogP2.13
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120701441
2-[3-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120687818
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527206
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
5-[[(5-amino-2-bromobenzoyl)amino]methyl]furan-2-carboxylic acid
CID 115297434
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100
5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245680
5-[(but-3-yn-2-ylamino)methyl]furan-2-carboxylic acid
CID 114414880

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 120687786) is 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid is Cc1ncc(C(=O)NCc2ccc(C(=O)O)o2)c(C(C)C)n1.
What is the InChIKey of 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is RLOJISMOCBHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8(2)13-11(7-16-9(3)18-13)14(19)17-6-10-4-5-12(22-10)15(20)21/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120687786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).