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

C12H18N4O3 — CID 66287426

IUPACmethyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C12H18N4O3/c1-18-12(17)11-14-3-2-10(15-11)13-4-5-16-6-8-19-9-7-16/h2-3H,4-9H2,1H3,(H,13,14,15)
InChIKeyMCHGPVKAQZUEAJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.01
Rot. Bonds5

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

methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate (PubChem CID 66287426) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
PubChem CID66287426
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C12H18N4O3/c1-18-12(17)11-14-3-2-10(15-11)13-4-5-16-6-8-19-9-7-16/h2-3H,4-9H2,1H3,(H,13,14,15)
InChIKeyMCHGPVKAQZUEAJ-UHFFFAOYSA-N
XLogP0.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate (CID 66287426) is methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate is COC(=O)c1nccc(NCCN2CCOCC2)n1.
What is the InChIKey of methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
The InChIKey is MCHGPVKAQZUEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-12(17)11-14-3-2-10(15-11)13-4-5-16-6-8-19-9-7-16/h2-3H,4-9H2,1H3,(H,13,14,15).
What are the key properties of methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate?
methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66287426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).