[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C19H22N8O — CID 135096020

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3nc4ncccn4n3)C1)CC2
InChIInChI=1S/C19H22N8O/c1-25(2)17-21-11-13-5-7-19(14(13)22-17)6-3-9-26(12-19)16(28)15-23-18-20-8-4-10-27(18)24-15/h4,8,10-11H,3,5-7,9,12H2,1-2H3
InChIKeyCSHHHPCJJJTCQR-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.10
Rot. Bonds2

About [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 135096020) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID135096020
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3nc4ncccn4n3)C1)CC2
InChIInChI=1S/C19H22N8O/c1-25(2)17-21-11-13-5-7-19(14(13)22-17)6-3-9-26(12-19)16(28)15-23-18-20-8-4-10-27(18)24-15/h4,8,10-11H,3,5-7,9,12H2,1-2H3
InChIKeyCSHHHPCJJJTCQR-UHFFFAOYSA-N
XLogP1.10
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 135096020) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3nc4ncccn4n3)C1)CC2.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is CSHHHPCJJJTCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-25(2)17-21-11-13-5-7-19(14(13)22-17)6-3-9-26(12-19)16(28)15-23-18-20-8-4-10-27(18)24-15/h4,8,10-11H,3,5-7,9,12H2,1-2H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 378.44 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 135096020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).