1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C19H23N3 — CID 135095074

IUPAC1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCCN1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C19H23N3/c1-2-22-12-6-10-19(14-22)11-9-16-13-20-18(21-17(16)19)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyAHXJPZWDLVVBFG-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.44
Rot. Bonds2

About 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 135095074) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID135095074
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCCN1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C19H23N3/c1-2-22-12-6-10-19(14-22)11-9-16-13-20-18(21-17(16)19)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyAHXJPZWDLVVBFG-UHFFFAOYSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 135120145
1'-(5-ethylpyrimidin-2-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135104197
1'-(2-imidazol-1-ylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135096180
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316416
2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
CID 164696893
5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
CID 135109701
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135087221
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 135095074) is 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is CCN1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is AHXJPZWDLVVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-22-12-6-10-19(14-22)11-9-16-13-20-18(21-17(16)19)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3.
What are the key properties of 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 293.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 135095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).