5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine

C16H23N3O7 — CID 145382288

IUPAC5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine
SMILESC1CCNC1.C=Cc1cncnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H6N2.C6H8O7.C4H9N/c1-2-6-3-7-5-8-4-6;7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4-5-3-1/h2-5H,1H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5H,1-4H2
InChIKeyQRFSOSMUBSUQMT-UHFFFAOYSA-N
MW369.37 g/mol
LogP0.24
Rot. Bonds6

About 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine

5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine (PubChem CID 145382288) has the molecular formula C16H23N3O7 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine.

Molecular Properties

Compound Name5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine
PubChem CID145382288
Molecular FormulaC16H23N3O7
Molecular Weight369.37 g/mol
Exact Mass369.15
IUPAC Name5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine
SMILESC1CCNC1.C=Cc1cncnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H6N2.C6H8O7.C4H9N/c1-2-6-3-7-5-8-4-6;7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4-5-3-1/h2-5H,1H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5H,1-4H2
InChIKeyQRFSOSMUBSUQMT-UHFFFAOYSA-N
XLogP0.24
TPSA169.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine?
The IUPAC name of 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine (CID 145382288) is 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine.
What is the SMILES notation for 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine?
The canonical SMILES for 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine is C1CCNC1.C=Cc1cncnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine?
The InChIKey is QRFSOSMUBSUQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2.C6H8O7.C4H9N/c1-2-6-3-7-5-8-4-6;7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-4-5-3-1/h2-5H,1H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5H,1-4H2.
What are the key properties of 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine?
5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine has a molecular weight of 369.37 g/mol, XLogP of 0.24, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid;pyrrolidine is sourced from PubChem (CID 145382288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).