1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one

C21H21ClN6O3 — CID 130469759

IUPAC1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one
SMILESCC(Nc1nccc(N2CC(O)(O)N(C)C2=O)n1)c1ccc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C21H21ClN6O3/c1-13(17-7-6-15(11-24-17)14-4-3-5-16(22)10-14)25-19-23-9-8-18(26-19)28-12-21(30,31)27(2)20(28)29/h3-11,13,30-31H,12H2,1-2H3,(H,23,25,26)
InChIKeyWUPFCMJGHAVHIK-UHFFFAOYSA-N
MW440.89 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one

1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one (PubChem CID 130469759) has the molecular formula C21H21ClN6O3 and a molecular weight of 440.89 g/mol. Its IUPAC name is 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one
PubChem CID130469759
Molecular FormulaC21H21ClN6O3
Molecular Weight440.89 g/mol
Exact Mass440.14
IUPAC Name1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one
SMILESCC(Nc1nccc(N2CC(O)(O)N(C)C2=O)n1)c1ccc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C21H21ClN6O3/c1-13(17-7-6-15(11-24-17)14-4-3-5-16(22)10-14)25-19-23-9-8-18(26-19)28-12-21(30,31)27(2)20(28)29/h3-11,13,30-31H,12H2,1-2H3,(H,23,25,26)
InChIKeyWUPFCMJGHAVHIK-UHFFFAOYSA-N
XLogP2.88
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
CID 130469687
4,4-dihydroxy-3-methyl-1-(2-methylpyrimidin-4-yl)imidazolidin-2-one
CID 145372299
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285962
3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1H-imidazol-2-one
CID 142748935
2-chloro-N-cyclopentyl-4-[1-[[4-[(5S)-2-oxo-5-propan-2-ylimidazolidin-1-yl]pyrimidin-2-yl]amino]ethyl]benzamide;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1R)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[5-(3-chlorophenyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one;(5S)-4,4-dideuterio-3-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 160500904
2-[5-(3-chlorophenyl)-2-pyridinyl]-1,5,5-trimethylpyrazolidin-3-one
CID 70936653
4-methyl-6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one;propane
CID 145372302
tert-butyl N-[(3S)-1-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]amino]pyrimidin-4-yl]-5-oxopyrrolidin-3-yl]carbamate
CID 144714274
1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 177371369
3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285405
(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[[(1S)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one (CID 130469759) is 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one is CC(Nc1nccc(N2CC(O)(O)N(C)C2=O)n1)c1ccc(-c2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one?
The InChIKey is WUPFCMJGHAVHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O3/c1-13(17-7-6-15(11-24-17)14-4-3-5-16(22)10-14)25-19-23-9-8-18(26-19)28-12-21(30,31)27(2)20(28)29/h3-11,13,30-31H,12H2,1-2H3,(H,23,25,26).
What are the key properties of 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one?
1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one has a molecular weight of 440.89 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[5-(3-chlorophenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-4,4-dihydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 130469759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).