1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C18H22N4O — CID 110266033

IUPAC1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(N(C)C)ncc1-c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13(23)22-11-7-10-16(22)17-15(14-8-5-4-6-9-14)12-19-18(20-17)21(2)3/h4-6,8-9,12,16H,7,10-11H2,1-3H3
InChIKeyVTNNTKODWUAOPJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110266033) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110266033
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(N(C)C)ncc1-c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13(23)22-11-7-10-16(22)17-15(14-8-5-4-6-9-14)12-19-18(20-17)21(2)3/h4-6,8-9,12,16H,7,10-11H2,1-3H3
InChIKeyVTNNTKODWUAOPJ-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FK-3453
CID 52939114
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide
CID 46831476
1-{2-[(2,3-Dihydro-1h-Inden-2-Yl)amino]-7,8-Dihydropyrido[4,3-D]pyrimidin-6(5h)-Yl}ethan-1-One
CID 121488120
1-methyl-4-[2-methyl-6-[[(2S)-2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidin-4-yl]-1,4-diazepane
CID 138501432
CXCR4 antagonist 6
CID 138501464
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyrimidin-5-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895816
Aminopyrimidine deriv. 10
CID 6539888
N-cyclohexyl-N-methyl-4-(pyridin-3-yl)-1H-imidazole-1-carboxamide
CID 66554294
N-(3-methylphenyl)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 6466372
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11187702
N-methyl-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 14722184

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110266033) is 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc(N(C)C)ncc1-c1ccccc1.
What is the InChIKey of 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is VTNNTKODWUAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(23)22-11-7-10-16(22)17-15(14-8-5-4-6-9-14)12-19-18(20-17)21(2)3/h4-6,8-9,12,16H,7,10-11H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110266033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).