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

C16H26N6O2 — CID 154829653

IUPAC2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCN(C)c1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H26N6O2/c1-19(2)14-3-4-17-16(18-14)22-7-5-20(6-8-22)13-15(23)21-9-11-24-12-10-21/h3-4H,5-13H2,1-2H3
InChIKeyIKNJKAGDRDKIHU-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.48
Rot. Bonds4

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

2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 154829653) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID154829653
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCN(C)c1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H26N6O2/c1-19(2)14-3-4-17-16(18-14)22-7-5-20(6-8-22)13-15(23)21-9-11-24-12-10-21/h3-4H,5-13H2,1-2H3
InChIKeyIKNJKAGDRDKIHU-UHFFFAOYSA-N
XLogP-0.48
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632
(5E)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87325668
2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 154830244
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 154829653) is 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone is CN(C)c1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is IKNJKAGDRDKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-19(2)14-3-4-17-16(18-14)22-7-5-20(6-8-22)13-15(23)21-9-11-24-12-10-21/h3-4H,5-13H2,1-2H3.
What are the key properties of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 334.42 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 154829653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).