2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C20H24FN5O — CID 155494197

IUPAC2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCCc1ncnc(N2CCC3(CCc4c3nc(C3CC3)[nH]c4=O)CC2)c1F
InChIInChI=1S/C20H24FN5O/c1-2-14-15(21)18(23-11-22-14)26-9-7-20(8-10-26)6-5-13-16(20)24-17(12-3-4-12)25-19(13)27/h11-12H,2-10H2,1H3,(H,24,25,27)
InChIKeyFXTZNCCQMBIHDT-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.62
Rot. Bonds3

About 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155494197) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155494197
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCCc1ncnc(N2CCC3(CCc4c3nc(C3CC3)[nH]c4=O)CC2)c1F
InChIInChI=1S/C20H24FN5O/c1-2-14-15(21)18(23-11-22-14)26-9-7-20(8-10-26)6-5-13-16(20)24-17(12-3-4-12)25-19(13)27/h11-12H,2-10H2,1H3,(H,24,25,27)
InChIKeyFXTZNCCQMBIHDT-UHFFFAOYSA-N
XLogP2.62
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-Ethyl-5-fluoropyrimidin-4-YL)amino]cyclohexane-1-carboxamide
CID 121583005
2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide
CID 164636574
6-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidinyl]-2-methyl-4-pyrimidinol
CID 136228150
3-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 72921630
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 75437980
Cyclopentyl-[4-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone
CID 75514646
cis-(1S,3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331727
trans-(1S,3S)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331728
trans-(1R,3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331729
cis-(1R,3S)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331730
4-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 103880109
trans-(1R,2R)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 129471334

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155494197) is 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is CCc1ncnc(N2CCC3(CCc4c3nc(C3CC3)[nH]c4=O)CC2)c1F.
What is the InChIKey of 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is FXTZNCCQMBIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-2-14-15(21)18(23-11-22-14)26-9-7-20(8-10-26)6-5-13-16(20)24-17(12-3-4-12)25-19(13)27/h11-12H,2-10H2,1H3,(H,24,25,27).
What are the key properties of 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 369.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(6-ethyl-5-fluoropyrimidin-4-yl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155494197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).