4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C17H25N7O — CID 71874854

IUPAC4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cnn(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1
InChIInChI=1S/C17H25N7O/c1-2-20-24(3-1)9-6-21-4-7-22(8-5-21)16-14-17(19-15-18-16)23-10-12-25-13-11-23/h1-3,14-15H,4-13H2
InChIKeyYKQPIBTVIUAFCZ-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.33
Rot. Bonds5

About 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 71874854) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID71874854
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cnn(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1
InChIInChI=1S/C17H25N7O/c1-2-20-24(3-1)9-6-21-4-7-22(8-5-21)16-14-17(19-15-18-16)23-10-12-25-13-11-23/h1-3,14-15H,4-13H2
InChIKeyYKQPIBTVIUAFCZ-UHFFFAOYSA-N
XLogP0.33
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166189579
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
4-[6-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 75386867
6-piperidin-1-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 133280938
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
4-[6-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883208
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 71874854) is 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1cnn(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1.
What is the InChIKey of 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is YKQPIBTVIUAFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-2-20-24(3-1)9-6-21-4-7-22(8-5-21)16-14-17(19-15-18-16)23-10-12-25-13-11-23/h1-3,14-15H,4-13H2.
What are the key properties of 4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 343.44 g/mol, XLogP of 0.33, 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-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71874854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).