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

C21H30N6O — CID 171334151

IUPAC4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)n1
InChIInChI=1S/C21H30N6O/c1-17-4-3-5-19(22-17)6-7-25-8-10-26(11-9-25)20-16-18(2)23-21(24-20)27-12-14-28-15-13-27/h3-5,16H,6-15H2,1-2H3
InChIKeyGZPWIMWVTMIOOS-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.69
Rot. Bonds5

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

4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 171334151) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID171334151
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1cccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)n1
InChIInChI=1S/C21H30N6O/c1-17-4-3-5-19(22-17)6-7-25-8-10-26(11-9-25)20-16-18(2)23-21(24-20)27-12-14-28-15-13-27/h3-5,16H,6-15H2,1-2H3
InChIKeyGZPWIMWVTMIOOS-UHFFFAOYSA-N
XLogP1.69
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333986
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 163349554
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 171334066
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065
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
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930
4-[4-methyl-6-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333905
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 171334151) is 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1cccc(CCN2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)n1.
What is the InChIKey of 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is GZPWIMWVTMIOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-17-4-3-5-19(22-17)6-7-25-8-10-26(11-9-25)20-16-18(2)23-21(24-20)27-12-14-28-15-13-27/h3-5,16H,6-15H2,1-2H3.
What are the key properties of 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 382.51 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 171334151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).