1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C20H25N3O — CID 118744874

IUPAC1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCC(C)CN1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C20H25N3O/c1-15(2)11-23-9-8-20(13-23)14-24-12-17-10-21-19(22-18(17)20)16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3
InChIKeyMQIKXAUVRNIUHZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.27
Rot. Bonds3

About 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118744874) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118744874
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESCC(C)CN1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C20H25N3O/c1-15(2)11-23-9-8-20(13-23)14-24-12-17-10-21-19(22-18(17)20)16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3
InChIKeyMQIKXAUVRNIUHZ-UHFFFAOYSA-N
XLogP3.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118744874) is 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is CC(C)CN1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is MQIKXAUVRNIUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)11-23-9-8-20(13-23)14-24-12-17-10-21-19(22-18(17)20)16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3.
What are the key properties of 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 323.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropyl)-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).