1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C21H26FN3O2 — CID 164698052

IUPAC1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCOc1cc(F)c(CN2CCCC3(CCc4cnc(C)nc43)C2)cc1OC
InChIInChI=1S/C21H26FN3O2/c1-14-23-11-15-5-7-21(20(15)24-14)6-4-8-25(13-21)12-16-9-18(26-2)19(27-3)10-17(16)22/h9-11H,4-8,12-13H2,1-3H3
InChIKeyIGIXSBLLPYRGNU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.42
Rot. Bonds4

About 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 164698052) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID164698052
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCOc1cc(F)c(CN2CCCC3(CCc4cnc(C)nc43)C2)cc1OC
InChIInChI=1S/C21H26FN3O2/c1-14-23-11-15-5-7-21(20(15)24-14)6-4-8-25(13-21)12-16-9-18(26-2)19(27-3)10-17(16)22/h9-11H,4-8,12-13H2,1-3H3
InChIKeyIGIXSBLLPYRGNU-UHFFFAOYSA-N
XLogP3.42
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] with MolForge

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Related Compounds

1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164691339
1'-[(2-methoxy-3-pyridinyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163308924
1'-[(2-fluoro-4-methoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 164688851
3,5-dimethyl-4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 135120195
1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316612
1'-[(3-chlorothiophen-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135118798
2-methyl-1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135108126
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
5-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-2-methoxybenzoic acid
CID 163310429
2-ethyl-7-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135106525
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316416
(2-methoxy-4-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163315799

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 164698052) is 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is COc1cc(F)c(CN2CCCC3(CCc4cnc(C)nc43)C2)cc1OC.
What is the InChIKey of 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is IGIXSBLLPYRGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-23-11-15-5-7-21(20(15)24-14)6-4-8-25(13-21)12-16-9-18(26-2)19(27-3)10-17(16)22/h9-11H,4-8,12-13H2,1-3H3.
What are the key properties of 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 371.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 164698052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).