ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

C18H25N5O3 — CID 663171

IUPACethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CC(C)OC(C)C1
InChIInChI=1S/C18H25N5O3/c1-6-25-17(24)15-8-19-18(23-12(3)7-11(2)21-23)20-16(15)22-9-13(4)26-14(5)10-22/h7-8,13-14H,6,9-10H2,1-5H3
InChIKeyIPMLNIPTCWCDFR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.07
Rot. Bonds4

About ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate (PubChem CID 663171) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
PubChem CID663171
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CC(C)OC(C)C1
InChIInChI=1S/C18H25N5O3/c1-6-25-17(24)15-8-19-18(23-12(3)7-11(2)21-23)20-16(15)22-9-13(4)26-14(5)10-22/h7-8,13-14H,6,9-10H2,1-5H3
InChIKeyIPMLNIPTCWCDFR-UHFFFAOYSA-N
XLogP2.07
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate (CID 663171) is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CC(C)OC(C)C1.
What is the InChIKey of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
The InChIKey is IPMLNIPTCWCDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-6-25-17(24)15-8-19-18(23-12(3)7-11(2)21-23)20-16(15)22-9-13(4)26-14(5)10-22/h7-8,13-14H,6,9-10H2,1-5H3.
What are the key properties of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate?
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 663171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).