1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone

C19H21ClN4O — CID 135103905

IUPAC1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone
SMILESNc1ncc2c(n1)C1(CCCN(C(=O)Cc3cccc(Cl)c3)C1)CC2
InChIInChI=1S/C19H21ClN4O/c20-15-4-1-3-13(9-15)10-16(25)24-8-2-6-19(12-24)7-5-14-11-22-18(21)23-17(14)19/h1,3-4,9,11H,2,5-8,10,12H2,(H2,21,22,23)
InChIKeyHHCDNSKMUVPDOO-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone

1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 135103905) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone
PubChem CID135103905
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone
SMILESNc1ncc2c(n1)C1(CCCN(C(=O)Cc3cccc(Cl)c3)C1)CC2
InChIInChI=1S/C19H21ClN4O/c20-15-4-1-3-13(9-15)10-16(25)24-8-2-6-19(12-24)7-5-14-11-22-18(21)23-17(14)19/h1,3-4,9,11H,2,5-8,10,12H2,(H2,21,22,23)
InChIKeyHHCDNSKMUVPDOO-UHFFFAOYSA-N
XLogP2.76
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone with MolForge

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Related Compounds

1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-cyclopentylethanone
CID 135102067
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1-benzofuran-2-yl)methanone
CID 163315881
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-chloro-3-methyl-1H-indol-2-yl)methanone
CID 163318690
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-chlorothiophen-2-yl)methanone
CID 135087346
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,2-oxazol-5-yl)methanone
CID 163310590
2-amino-N-(5-chloro-2-methoxyphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 135119258
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-quinoxalin-2-ylmethanone
CID 163310783
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 163315511
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-imidazol-5-yl)methanone
CID 163315199
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135111394
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone
CID 135105462

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone (CID 135103905) is 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone is Nc1ncc2c(n1)C1(CCCN(C(=O)Cc3cccc(Cl)c3)C1)CC2.
What is the InChIKey of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is HHCDNSKMUVPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-15-4-1-3-13(9-15)10-16(25)24-8-2-6-19(12-24)7-5-14-11-22-18(21)23-17(14)19/h1,3-4,9,11H,2,5-8,10,12H2,(H2,21,22,23).
What are the key properties of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone?
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone has a molecular weight of 356.86 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 135103905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).