methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate

C13H20N4O3 — CID 66287425

IUPACmethyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H20N4O3/c1-10-9-11(16-12(15-10)13(18)19-2)14-3-4-17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyPGODSZTYGMYDEH-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.32
Rot. Bonds5

About methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate (PubChem CID 66287425) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
PubChem CID66287425
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H20N4O3/c1-10-9-11(16-12(15-10)13(18)19-2)14-3-4-17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyPGODSZTYGMYDEH-UHFFFAOYSA-N
XLogP0.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate
CID 66286852
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 154735878
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913122

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate (CID 66287425) is methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCN2CCOCC2)n1.
What is the InChIKey of methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
The InChIKey is PGODSZTYGMYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-9-11(16-12(15-10)13(18)19-2)14-3-4-17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66287425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).