1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione

C23H28FN5O3 — CID 134553848

IUPAC1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@H](NCCCc1cnc(CN2CC(=O)NC2=O)nc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H28FN5O3/c1-15(18-6-7-19(24)20(9-18)32-14-16-4-5-16)25-8-2-3-17-10-26-21(27-11-17)12-29-13-22(30)28-23(29)31/h6-7,9-11,15-16,25H,2-5,8,12-14H2,1H3,(H,28,30,31)/t15-/m1/s1
InChIKeyJWNLRIZUQJNPHD-OAHLLOKOSA-N
MW441.51 g/mol
LogP2.74
Rot. Bonds11

About 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione

1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 134553848) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID134553848
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@H](NCCCc1cnc(CN2CC(=O)NC2=O)nc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H28FN5O3/c1-15(18-6-7-19(24)20(9-18)32-14-16-4-5-16)25-8-2-3-17-10-26-21(27-11-17)12-29-13-22(30)28-23(29)31/h6-7,9-11,15-16,25H,2-5,8,12-14H2,1H3,(H,28,30,31)/t15-/m1/s1
InChIKeyJWNLRIZUQJNPHD-OAHLLOKOSA-N
XLogP2.74
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[6-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyridazin-3-yl]imidazolidine-2,4-dione
CID 134553849
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]pyrimidin-2-yl]methanesulfonamide
CID 155370165
1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione
CID 158017779
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-1-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-oxazol-2-yl]methanesulfonamide
CID 155370215
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
1-[2-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]butyl]pyrimidin-4-yl]-4-sulfanylideneimidazolidin-2-one
CID 134553564
1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione
CID 162033896
3-[(Z)-7-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553801
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
CID 134553459
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione (CID 134553848) is 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is C[C@@H](NCCCc1cnc(CN2CC(=O)NC2=O)nc1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is JWNLRIZUQJNPHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-15(18-6-7-19(24)20(9-18)32-14-16-4-5-16)25-8-2-3-17-10-26-21(27-11-17)12-29-13-22(30)28-23(29)31/h6-7,9-11,15-16,25H,2-5,8,12-14H2,1H3,(H,28,30,31)/t15-/m1/s1.
What are the key properties of 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione?
1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 441.51 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134553848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).