4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid

C14H21N3O4 — CID 66319006

IUPAC4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1cc(OCC)ncn1)C1COCC1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-3-5-17(11-8-20-7-10(11)14(18)19)12-6-13(21-4-2)16-9-15-12/h6,9-11H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyFQOHUWGCESFRBN-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.19
Rot. Bonds7

About 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid

4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66319006) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66319006
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1cc(OCC)ncn1)C1COCC1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-3-5-17(11-8-20-7-10(11)14(18)19)12-6-13(21-4-2)16-9-15-12/h6,9-11H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyFQOHUWGCESFRBN-UHFFFAOYSA-N
XLogP1.19
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66253038
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959182
4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66252065
4-[(2-cyano-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66252252
4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
CID 83152967
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[(1-methyl-4-nitropyrazol-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 103079363
4-[(3-nitro-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66254191
4-(3-nitro-N-propylanilino)oxolane-3-carboxylic acid
CID 66253611
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid (CID 66319006) is 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid is CCCN(c1cc(OCC)ncn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is FQOHUWGCESFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-5-17(11-8-20-7-10(11)14(18)19)12-6-13(21-4-2)16-9-15-12/h6,9-11H,3-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66319006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).