4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

C16H25N5O2 — CID 67897493

IUPAC4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESc1c(N2CCCC2)nc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C16H25N5O2/c1-2-4-19(3-1)14-13-15(20-5-9-22-10-6-20)18-16(17-14)21-7-11-23-12-8-21/h13H,1-12H2
InChIKeyZEQUQXBBEHDINR-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.75
Rot. Bonds3

About 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 67897493) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID67897493
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESc1c(N2CCCC2)nc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C16H25N5O2/c1-2-4-19(3-1)14-13-15(20-5-9-22-10-6-20)18-16(17-14)21-7-11-23-12-8-21/h13H,1-12H2
InChIKeyZEQUQXBBEHDINR-UHFFFAOYSA-N
XLogP0.75
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
CID 6989309
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
CID 176548594
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 51041576
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (CID 67897493) is 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is c1c(N2CCCC2)nc(N2CCOCC2)nc1N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is ZEQUQXBBEHDINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-4-19(3-1)14-13-15(20-5-9-22-10-6-20)18-16(17-14)21-7-11-23-12-8-21/h13H,1-12H2.
What are the key properties of 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 319.41 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 67897493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).