2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C18H22N6O2 — CID 118739561

IUPAC2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESc1cnc(N2CCC3(COCc4cnc(N5CCOCC5)nc43)C2)nc1
InChIInChI=1S/C18H22N6O2/c1-3-19-16(20-4-1)24-5-2-18(12-24)13-26-11-14-10-21-17(22-15(14)18)23-6-8-25-9-7-23/h1,3-4,10H,2,5-9,11-13H2
InChIKeyNDAVSQOEOBLYLX-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.78
Rot. Bonds2

About 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118739561) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118739561
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESc1cnc(N2CCC3(COCc4cnc(N5CCOCC5)nc43)C2)nc1
InChIInChI=1S/C18H22N6O2/c1-3-19-16(20-4-1)24-5-2-18(12-24)13-26-11-14-10-21-17(22-15(14)18)23-6-8-25-9-7-23/h1,3-4,10H,2,5-9,11-13H2
InChIKeyNDAVSQOEOBLYLX-UHFFFAOYSA-N
XLogP0.78
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118739561) is 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is c1cnc(N2CCC3(COCc4cnc(N5CCOCC5)nc43)C2)nc1.
What is the InChIKey of 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is NDAVSQOEOBLYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-19-16(20-4-1)24-5-2-18(12-24)13-26-11-14-10-21-17(22-15(14)18)23-6-8-25-9-7-23/h1,3-4,10H,2,5-9,11-13H2.
What are the key properties of 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 354.41 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118739561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).