4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H28N6O — CID 166604816

IUPAC4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(CCc3cccnc3)CC2)n1
InChIInChI=1S/C20H28N6O/c1-17-15-19(25-11-13-27-14-12-25)23-20(22-17)26-9-7-24(8-10-26)6-4-18-3-2-5-21-16-18/h2-3,5,15-16H,4,6-14H2,1H3
InChIKeyKXELJHJXSBGIAR-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.38
Rot. Bonds5

About 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 166604816) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID166604816
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(CCc3cccnc3)CC2)n1
InChIInChI=1S/C20H28N6O/c1-17-15-19(25-11-13-27-14-12-25)23-20(22-17)26-9-7-24(8-10-26)6-4-18-3-2-5-21-16-18/h2-3,5,15-16H,4,6-14H2,1H3
InChIKeyKXELJHJXSBGIAR-UHFFFAOYSA-N
XLogP1.38
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333905
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333986
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
4-(4,6-dimethylpyrimidin-2-yl)-6-(pyridin-3-ylmethyl)-1,4-oxazepane
CID 102604287
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 166604816) is 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(N2CCN(CCc3cccnc3)CC2)n1.
What is the InChIKey of 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is KXELJHJXSBGIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-17-15-19(25-11-13-27-14-12-25)23-20(22-17)26-9-7-24(8-10-26)6-4-18-3-2-5-21-16-18/h2-3,5,15-16H,4,6-14H2,1H3.
What are the key properties of 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 368.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166604816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).