4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid

C13H20N4O3 — CID 66246649

IUPAC4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1ccnc(N(C)C)n1)C1COCC1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-4-17(10-8-20-7-9(10)12(18)19)11-5-6-14-13(15-11)16(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyIMZVKFFLDPKYAQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.47
Rot. Bonds5

About 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid

4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246649) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246649
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1ccnc(N(C)C)n1)C1COCC1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-4-17(10-8-20-7-9(10)12(18)19)11-5-6-14-13(15-11)16(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyIMZVKFFLDPKYAQ-UHFFFAOYSA-N
XLogP0.47
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Methoxymethyl)-1-(pyrimidin-2-YL)pyrrolidine-3-carboxylic acid
CID 110203474
(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 164629679
4-[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
CID 66236173
4-[Ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolane-3-carboxylic acid
CID 66247046
4-[(5-Fluoropyrimidin-2-yl)-methylamino]oxolane-3-carboxylic acid
CID 104605958
4-[(5-Fluoropyrimidin-2-yl)-propylamino]oxolane-3-carboxylic acid
CID 104605959
4-[Ethyl-(5-fluoropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 113432079
(3S,4S)-1-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063791
1-[2-(Dimethylamino)pyrimidin-4-yl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 137971908
4-(4-Pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one
CID 118196920
(2S,3R)-2-[(2-chloropyrimidin-4-yl)amino]-3-(2-methylpropoxy)butanoic acid
CID 138554928
3-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272482

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid (CID 66246649) is 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid is CCN(c1ccnc(N(C)C)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is IMZVKFFLDPKYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-17(10-8-20-7-9(10)12(18)19)11-5-6-14-13(15-11)16(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid?
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).