ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate

C15H23N3O2S — CID 106445642

IUPACethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(C2CSCCN2C)ncc1C(=O)OCC
InChIInChI=1S/C15H23N3O2S/c1-4-6-12-11(15(19)20-5-2)9-16-14(17-12)13-10-21-8-7-18(13)3/h9,13H,4-8,10H2,1-3H3
InChIKeyNUZPBNCDZUSEOF-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate

ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate (PubChem CID 106445642) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
PubChem CID106445642
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Nameethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(C2CSCCN2C)ncc1C(=O)OCC
InChIInChI=1S/C15H23N3O2S/c1-4-6-12-11(15(19)20-5-2)9-16-14(17-12)13-10-21-8-7-18(13)3/h9,13H,4-8,10H2,1-3H3
InChIKeyNUZPBNCDZUSEOF-UHFFFAOYSA-N
XLogP2.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-propylpyrimidine-5-carboxylate
CID 102972668
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
CID 106445744
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
CID 102972759
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
ethyl 2-(2-methoxypropyl)-4-propylpyrimidine-5-carboxylate
CID 102972748
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
4-propyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylic acid
CID 91888329
ethyl 2-(1,4-dithian-2-yl)-5-methylpyrimidine-4-carboxylate
CID 114244948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate (CID 106445642) is ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate is CCCc1nc(C2CSCCN2C)ncc1C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate?
The InChIKey is NUZPBNCDZUSEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-6-12-11(15(19)20-5-2)9-16-14(17-12)13-10-21-8-7-18(13)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate?
ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate has a molecular weight of 309.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylthiomorpholin-3-yl)-4-propylpyrimidine-5-carboxylate is sourced from PubChem (CID 106445642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).