1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone

C12H18N4O2 — CID 73440167

IUPAC1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C12H18N4O2/c1-9(17)16-6-7-18-11(8-16)10-4-5-13-12(14-10)15(2)3/h4-5,11H,6-8H2,1-3H3
InChIKeyBGUIHVKZRLQUTA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.46
Rot. Bonds2

About 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone

1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone (PubChem CID 73440167) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
PubChem CID73440167
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C12H18N4O2/c1-9(17)16-6-7-18-11(8-16)10-4-5-13-12(14-10)15(2)3/h4-5,11H,6-8H2,1-3H3
InChIKeyBGUIHVKZRLQUTA-UHFFFAOYSA-N
XLogP0.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone (CID 73440167) is 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The InChIKey is BGUIHVKZRLQUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(17)16-6-7-18-11(8-16)10-4-5-13-12(14-10)15(2)3/h4-5,11H,6-8H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone?
1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 73440167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).