4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

C18H27N7O — CID 166189579

IUPAC4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nccn1CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C18H27N7O/c1-16-19-2-3-23(16)7-4-22-5-8-24(9-6-22)17-14-18(21-15-20-17)25-10-12-26-13-11-25/h2-3,14-15H,4-13H2,1H3
InChIKeyLRUVCTSNDQMSQV-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.64
Rot. Bonds5

About 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 166189579) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID166189579
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nccn1CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C18H27N7O/c1-16-19-2-3-23(16)7-4-22-5-8-24(9-6-22)17-14-18(21-15-20-17)25-10-12-26-13-11-25/h2-3,14-15H,4-13H2,1H3
InChIKeyLRUVCTSNDQMSQV-UHFFFAOYSA-N
XLogP0.64
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 71874854
4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493689
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
3-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493690
4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 75386867
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 109411165
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 166189579) is 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nccn1CCN1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is LRUVCTSNDQMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-16-19-2-3-23(16)7-4-22-5-8-24(9-6-22)17-14-18(21-15-20-17)25-10-12-26-13-11-25/h2-3,14-15H,4-13H2,1H3.
What are the key properties of 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 357.46 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166189579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).