4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid

C13H19N3O3 — CID 114106521

IUPAC4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCCC1OCCC1CNCc1ncncc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-12-9(3-4-19-12)5-14-7-11-10(13(17)18)6-15-8-16-11/h6,8-9,12,14H,2-5,7H2,1H3,(H,17,18)
InChIKeyRYQHUGKYZVQTRP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds6

About 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid

4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 114106521) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
PubChem CID114106521
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
SMILESCCC1OCCC1CNCc1ncncc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-12-9(3-4-19-12)5-14-7-11-10(13(17)18)6-15-8-16-11/h6,8-9,12,14H,2-5,7H2,1H3,(H,17,18)
InChIKeyRYQHUGKYZVQTRP-UHFFFAOYSA-N
XLogP1.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103256332
4-[[(3-methylcyclohexyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114131379
4-[(thian-2-ylmethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103257952
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 114106528
5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114106055
4-[(2-hydroxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103238229
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103243699
4-[(2-butoxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103242705
4-[(3-butoxypropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103264712
4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106287935
4-[[(2,3-dimethylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103254754
4-[[(2-hydroxy-2-methylpentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106294451

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid (CID 114106521) is 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid is CCC1OCCC1CNCc1ncncc1C(=O)O.
What is the InChIKey of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is RYQHUGKYZVQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-12-9(3-4-19-12)5-14-7-11-10(13(17)18)6-15-8-16-11/h6,8-9,12,14H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid?
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114106521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).