ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate

C14H22N4O3 — CID 17121387

IUPACethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCN2CCOCC2)nc1C
InChIInChI=1S/C14H22N4O3/c1-3-21-13(19)12-10-16-14(17-11(12)2)15-4-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyJWHJVVBSKOHBQI-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.71
Rot. Bonds6

About ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate (PubChem CID 17121387) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
PubChem CID17121387
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCN2CCOCC2)nc1C
InChIInChI=1S/C14H22N4O3/c1-3-21-13(19)12-10-16-14(17-11(12)2)15-4-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyJWHJVVBSKOHBQI-UHFFFAOYSA-N
XLogP0.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1187153
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1188194
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
CID 1191454
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidine-5-carboxylate;4-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidine-5-carboxylic acid
CID 157231341
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate (CID 17121387) is ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCCN2CCOCC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate?
The InChIKey is JWHJVVBSKOHBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-21-13(19)12-10-16-14(17-11(12)2)15-4-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 17121387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).