[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C13H17ClN4O2 — CID 155799926

IUPAC[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ncc(Cl)cn2)CCO1)N1CCCC1
InChIInChI=1S/C13H17ClN4O2/c14-10-7-15-13(16-8-10)18-5-6-20-11(9-18)12(19)17-3-1-2-4-17/h7-8,11H,1-6,9H2
InChIKeyUZCMCQNECGEELF-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.96
Rot. Bonds2

About [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155799926) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155799926
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ncc(Cl)cn2)CCO1)N1CCCC1
InChIInChI=1S/C13H17ClN4O2/c14-10-7-15-13(16-8-10)18-5-6-20-11(9-18)12(19)17-3-1-2-4-17/h7-8,11H,1-6,9H2
InChIKeyUZCMCQNECGEELF-UHFFFAOYSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163345700
[4-[4-(dimethylamino)pyrimidin-2-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163345813
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 138386426
[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163347989
[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163343648
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579
[4-(3-bromo-4-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163343615
[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154581086
[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800283
3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
CID 155800062
[4-(4-methylpyrimidin-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154580734

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155799926) is [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2ncc(Cl)cn2)CCO1)N1CCCC1.
What is the InChIKey of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UZCMCQNECGEELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-10-7-15-13(16-8-10)18-5-6-20-11(9-18)12(19)17-3-1-2-4-17/h7-8,11H,1-6,9H2.
What are the key properties of [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 296.76 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155799926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).