cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone

C17H24N4O2 — CID 118739312

IUPACcyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H24N4O2/c1-11-13-8-23-10-17(14(13)19-16(18-11)20(2)3)6-7-21(9-17)15(22)12-4-5-12/h12H,4-10H2,1-3H3
InChIKeyQSYCESZLEGBEOA-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.26
Rot. Bonds2

About cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone

cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone (PubChem CID 118739312) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone
PubChem CID118739312
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Namecyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone
SMILESCc1nc(N(C)C)nc2c1COCC21CCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H24N4O2/c1-11-13-8-23-10-17(14(13)19-16(18-11)20(2)3)6-7-21(9-17)15(22)12-4-5-12/h12H,4-10H2,1-3H3
InChIKeyQSYCESZLEGBEOA-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone?
The IUPAC name of cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone (CID 118739312) is cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone is Cc1nc(N(C)C)nc2c1COCC21CCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone?
The InChIKey is QSYCESZLEGBEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-13-8-23-10-17(14(13)19-16(18-11)20(2)3)6-7-21(9-17)15(22)12-4-5-12/h12H,4-10H2,1-3H3.
What are the key properties of cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone?
cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]methanone is sourced from PubChem (CID 118739312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).