1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one

C15H18BrN3O2 — CID 167214169

IUPAC1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one
SMILESCCCC(=O)C1=Cc2nc(Br)nc(N3CCOCC3)c2C1
InChIInChI=1S/C15H18BrN3O2/c1-2-3-13(20)10-8-11-12(9-10)17-15(16)18-14(11)19-4-6-21-7-5-19/h9H,2-8H2,1H3
InChIKeyCHUAJJGNYGNOCM-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one

1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one (PubChem CID 167214169) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one
PubChem CID167214169
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one
SMILESCCCC(=O)C1=Cc2nc(Br)nc(N3CCOCC3)c2C1
InChIInChI=1S/C15H18BrN3O2/c1-2-3-13(20)10-8-11-12(9-10)17-15(16)18-14(11)19-4-6-21-7-5-19/h9H,2-8H2,1H3
InChIKeyCHUAJJGNYGNOCM-UHFFFAOYSA-N
XLogP2.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-2-[[(3Z,5E)-6-phenylocta-3,5-dien-4-yl]amino]-5H-cyclopenta[d]pyrimidine-6-carboxamide
CID 166164497
ethane;4-morpholin-4-yl-2-[[(3Z,5E)-6-phenylocta-3,5-dien-4-yl]amino]-5H-cyclopenta[d]pyrimidine-6-carboxamide
CID 166164496
1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one
CID 102544846
1-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 7283607
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide
CID 172966903
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
(4-butylphenyl)-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7439367
(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
1-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)heptan-1-one
CID 7288495
1-(2-chloro-7-methyl-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)-2-hydroxyethanone
CID 167214059

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one?
The IUPAC name of 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one (CID 167214169) is 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one.
What is the SMILES notation for 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one?
The canonical SMILES for 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one is CCCC(=O)C1=Cc2nc(Br)nc(N3CCOCC3)c2C1.
What is the InChIKey of 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one?
The InChIKey is CHUAJJGNYGNOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-3-13(20)10-8-11-12(9-10)17-15(16)18-14(11)19-4-6-21-7-5-19/h9H,2-8H2,1H3.
What are the key properties of 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one?
1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one has a molecular weight of 352.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one is sourced from PubChem (CID 167214169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).