2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide

C20H26FN5O — CID 110253051

IUPAC2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCC1c1nc(N)ncc1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN5O/c1-3-25(4-2)18(27)13-26-11-5-6-17(26)19-16(12-23-20(22)24-19)14-7-9-15(21)10-8-14/h7-10,12,17H,3-6,11,13H2,1-2H3,(H2,22,23,24)
InChIKeyLDUBAIPNXYNFMU-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide

2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide (PubChem CID 110253051) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide
PubChem CID110253051
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCC1c1nc(N)ncc1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN5O/c1-3-25(4-2)18(27)13-26-11-5-6-17(26)19-16(12-23-20(22)24-19)14-7-9-15(21)10-8-14/h7-10,12,17H,3-6,11,13H2,1-2H3,(H2,22,23,24)
InChIKeyLDUBAIPNXYNFMU-UHFFFAOYSA-N
XLogP2.87
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
4-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)pyrimidin-2-amine
CID 175661551
2-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95836792
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
1-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110253077
1-[(2S)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95837026
5-[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 95815176
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide (CID 110253051) is 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCC1c1nc(N)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide?
The InChIKey is LDUBAIPNXYNFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-3-25(4-2)18(27)13-26-11-5-6-17(26)19-16(12-23-20(22)24-19)14-7-9-15(21)10-8-14/h7-10,12,17H,3-6,11,13H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide?
2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide has a molecular weight of 371.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 110253051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).