1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C20H25FN6O2 — CID 154565774

IUPAC1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C20H25FN6O2/c1-13-23-16-14(18(28)24-13)3-5-20(16)4-2-6-27(12-20)19-22-11-15(21)17(25-19)26-7-9-29-10-8-26/h11H,2-10,12H2,1H3,(H,23,24,28)
InChIKeyLZWZZAHRKPBZNB-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.33
Rot. Bonds2

About 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154565774) has the molecular formula C20H25FN6O2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154565774
Molecular FormulaC20H25FN6O2
Molecular Weight400.46 g/mol
Exact Mass400.20
IUPAC Name1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C20H25FN6O2/c1-13-23-16-14(18(28)24-13)3-5-20(16)4-2-6-27(12-20)19-22-11-15(21)17(25-19)26-7-9-29-10-8-26/h11H,2-10,12H2,1H3,(H,23,24,28)
InChIKeyLZWZZAHRKPBZNB-UHFFFAOYSA-N
XLogP1.33
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

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Related Compounds

1'-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 163306794
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
1'-[(5-methyl-1H-imidazol-2-yl)methyl]-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154822439
2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570721
1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563906
1'-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565364
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816196
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382783
2-morpholin-4-yl-4-oxo-N-propan-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 154819051
1'-(1H-imidazole-5-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566970
1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506794

Frequently Asked Questions

What is the IUPAC name of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154565774) is 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1nc2c(c(=O)[nH]1)CCC21CCCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is LZWZZAHRKPBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O2/c1-13-23-16-14(18(28)24-13)3-5-20(16)4-2-6-27(12-20)19-22-11-15(21)17(25-19)26-7-9-29-10-8-26/h11H,2-10,12H2,1H3,(H,23,24,28).
What are the key properties of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 400.46 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154565774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).