1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

C15H22N4O2 — CID 110103717

IUPAC1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccnc(C2CCN(C(=O)CN3CCOCC3)C2)n1
InChIInChI=1S/C15H22N4O2/c1-12-2-4-16-15(17-12)13-3-5-19(10-13)14(20)11-18-6-8-21-9-7-18/h2,4,13H,3,5-11H2,1H3
InChIKeyPZGXNKSCDJNCKO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.43
Rot. Bonds3

About 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110103717) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110103717
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccnc(C2CCN(C(=O)CN3CCOCC3)C2)n1
InChIInChI=1S/C15H22N4O2/c1-12-2-4-16-15(17-12)13-3-5-19(10-13)14(20)11-18-6-8-21-9-7-18/h2,4,13H,3,5-11H2,1H3
InChIKeyPZGXNKSCDJNCKO-UHFFFAOYSA-N
XLogP0.43
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 110103717) is 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccnc(C2CCN(C(=O)CN3CCOCC3)C2)n1.
What is the InChIKey of 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is PZGXNKSCDJNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-2-4-16-15(17-12)13-3-5-19(10-13)14(20)11-18-6-8-21-9-7-18/h2,4,13H,3,5-11H2,1H3.
What are the key properties of 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 290.37 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110103717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).