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

C20H19N5O — CID 118739470

IUPAC2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESc1ccc(-c2ncc3c(n2)C2(CCN(c4ncccn4)C2)COC3)cc1
InChIInChI=1S/C20H19N5O/c1-2-5-15(6-3-1)18-23-11-16-12-26-14-20(17(16)24-18)7-10-25(13-20)19-21-8-4-9-22-19/h1-6,8-9,11H,7,10,12-14H2
InChIKeyXMRKQPQHGKIZIK-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.61
Rot. Bonds2

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

2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118739470) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118739470
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESc1ccc(-c2ncc3c(n2)C2(CCN(c4ncccn4)C2)COC3)cc1
InChIInChI=1S/C20H19N5O/c1-2-5-15(6-3-1)18-23-11-16-12-26-14-20(17(16)24-18)7-10-25(13-20)19-21-8-4-9-22-19/h1-6,8-9,11H,7,10,12-14H2
InChIKeyXMRKQPQHGKIZIK-UHFFFAOYSA-N
XLogP2.61
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118739470) is 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is c1ccc(-c2ncc3c(n2)C2(CCN(c4ncccn4)C2)COC3)cc1.
What is the InChIKey of 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is XMRKQPQHGKIZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-5-15(6-3-1)18-23-11-16-12-26-14-20(17(16)24-18)7-10-25(13-20)19-21-8-4-9-22-19/h1-6,8-9,11H,7,10,12-14H2.
What are the key properties of 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 345.41 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1'-pyrimidin-2-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118739470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).