1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one

C11H15N3O2 — CID 170035961

IUPAC1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
SMILESCCC(=O)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C11H15N3O2/c1-2-10(15)9-3-4-12-11(13-9)14-5-7-16-8-6-14/h3-4H,2,5-8H2,1H3
InChIKeyIJMRFDVPIYPREC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.91
Rot. Bonds3

About 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one

1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one (PubChem CID 170035961) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
PubChem CID170035961
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
SMILESCCC(=O)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C11H15N3O2/c1-2-10(15)9-3-4-12-11(13-9)14-5-7-16-8-6-14/h3-4H,2,5-8H2,1H3
InChIKeyIJMRFDVPIYPREC-UHFFFAOYSA-N
XLogP0.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
CID 83897522
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 136554886
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one?
The IUPAC name of 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one (CID 170035961) is 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one?
The canonical SMILES for 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one is CCC(=O)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one?
The InChIKey is IJMRFDVPIYPREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-10(15)9-3-4-12-11(13-9)14-5-7-16-8-6-14/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one?
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one has a molecular weight of 221.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one is sourced from PubChem (CID 170035961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).