1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C23H25N3O — CID 135089616

IUPAC1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ccc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)o1
InChIInChI=1S/C23H25N3O/c1-17-8-9-20(27-17)15-26-13-5-11-23(16-26)12-10-19-14-24-22(25-21(19)23)18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-16H2,1H3
InChIKeyIQPORFBMQQUHQB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.53
Rot. Bonds3

About 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 135089616) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID135089616
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ccc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)o1
InChIInChI=1S/C23H25N3O/c1-17-8-9-20(27-17)15-26-13-5-11-23(16-26)12-10-19-14-24-22(25-21(19)23)18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-16H2,1H3
InChIKeyIQPORFBMQQUHQB-UHFFFAOYSA-N
XLogP4.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] with MolForge

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Related Compounds

1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 135120145
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316416
1'-(2-imidazol-1-ylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135096180
5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 135102953
2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
CID 164696893
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
1'-(5-ethylpyrimidin-2-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135104197
5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
CID 135109701
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

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 135089616) is 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is Cc1ccc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)o1.
What is the InChIKey of 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is IQPORFBMQQUHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-8-9-20(27-17)15-26-13-5-11-23(16-26)12-10-19-14-24-22(25-21(19)23)18-6-3-2-4-7-18/h2-4,6-9,14H,5,10-13,15-16H2,1H3.
What are the key properties of 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 359.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 135089616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).