4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

C20H32N6O2 — CID 133484407

IUPAC4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
SMILESc1nc(N2CCC(N3CCOCC3)C2)cc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C20H32N6O2/c1-3-25(14-17(1)23-5-9-27-10-6-23)19-13-20(22-16-21-19)26-4-2-18(15-26)24-7-11-28-12-8-24/h13,16-18H,1-12,14-15H2
InChIKeyMWFUAWRUZILDBQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP0.30
Rot. Bonds4

About 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (PubChem CID 133484407) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
PubChem CID133484407
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
SMILESc1nc(N2CCC(N3CCOCC3)C2)cc(N2CCC(N3CCOCC3)C2)n1
InChIInChI=1S/C20H32N6O2/c1-3-25(14-17(1)23-5-9-27-10-6-23)19-13-20(22-16-21-19)26-4-2-18(15-26)24-7-11-28-12-8-24/h13,16-18H,1-12,14-15H2
InChIKeyMWFUAWRUZILDBQ-UHFFFAOYSA-N
XLogP0.30
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(6-ethylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 172905311
4-[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]morpholine
CID 22309538
[2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 63171090
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
CID 80652914
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 138543962
[5-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 114926413
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-amine
CID 79026019
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171427
4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 80829114

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (CID 133484407) is 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is c1nc(N2CCC(N3CCOCC3)C2)cc(N2CCC(N3CCOCC3)C2)n1.
What is the InChIKey of 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is MWFUAWRUZILDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-3-25(14-17(1)23-5-9-27-10-6-23)19-13-20(22-16-21-19)26-4-2-18(15-26)24-7-11-28-12-8-24/h13,16-18H,1-12,14-15H2.
What are the key properties of 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 388.52 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 133484407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).