cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone

C16H21N3O2 — CID 92565550

IUPACcyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)OCC2
InChIInChI=1S/C16H21N3O2/c1-11-17-10-13-4-9-21-16(14(13)18-11)5-7-19(8-6-16)15(20)12-2-3-12/h10,12H,2-9H2,1H3
InChIKeyWMTADNREYACQGS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds1

About cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone

cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone (PubChem CID 92565550) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
PubChem CID92565550
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namecyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)OCC2
InChIInChI=1S/C16H21N3O2/c1-11-17-10-13-4-9-21-16(14(13)18-11)5-7-19(8-6-16)15(20)12-2-3-12/h10,12H,2-9H2,1H3
InChIKeyWMTADNREYACQGS-UHFFFAOYSA-N
XLogP1.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone (CID 92565550) is cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone is Cc1ncc2c(n1)C1(CCN(C(=O)C3CC3)CC1)OCC2.
What is the InChIKey of cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
The InChIKey is WMTADNREYACQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-17-10-13-4-9-21-16(14(13)18-11)5-7-19(8-6-16)15(20)12-2-3-12/h10,12H,2-9H2,1H3.
What are the key properties of cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone?
cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 92565550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).