2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one

C25H28Cl2N4O2 — CID 123165660

IUPAC2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
SMILESCC(C)C1(C)CC(=O)N(Cc2cccc(N3CC(c4cc(Cl)cc(Cl)c4)CC3=O)c2)C(N)=N1
InChIInChI=1S/C25H28Cl2N4O2/c1-15(2)25(3)12-23(33)31(24(28)29-25)13-16-5-4-6-21(7-16)30-14-18(10-22(30)32)17-8-19(26)11-20(27)9-17/h4-9,11,15,18H,10,12-14H2,1-3H3,(H2,28,29)
InChIKeyYNRTUWOZEOMQCF-UHFFFAOYSA-N
MW487.43 g/mol
LogP4.98
Rot. Bonds5

About 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one

2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one (PubChem CID 123165660) has the molecular formula C25H28Cl2N4O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
PubChem CID123165660
Molecular FormulaC25H28Cl2N4O2
Molecular Weight487.43 g/mol
Exact Mass486.16
IUPAC Name2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
SMILESCC(C)C1(C)CC(=O)N(Cc2cccc(N3CC(c4cc(Cl)cc(Cl)c4)CC3=O)c2)C(N)=N1
InChIInChI=1S/C25H28Cl2N4O2/c1-15(2)25(3)12-23(33)31(24(28)29-25)13-16-5-4-6-21(7-16)30-14-18(10-22(30)32)17-8-19(26)11-20(27)9-17/h4-9,11,15,18H,10,12-14H2,1-3H3,(H2,28,29)
InChIKeyYNRTUWOZEOMQCF-UHFFFAOYSA-N
XLogP4.98
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[[3-[4-(3-chlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
CID 78165219
2-amino-6-methyl-3-[[3-(3-phenylpyrrolidin-1-yl)phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
CID 123779057
3-amino-4-[[3-[4-(3-fluorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-1,7,7-trimethyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
CID 123162023
3-[(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)methyl]-N-[(3-chlorophenyl)methyl]-5-fluorobenzamide
CID 78165259
(6S)-2-amino-6-methyl-3-[[4-[3-(4-methylphenyl)propanoyl]phenyl]methyl]-6-propan-2-yl-5H-pyrimidin-4-one
CID 158438230
5-[(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)methyl]-N-[(3-fluorophenyl)methyl]-2,4-dimethylcyclohexa-1,5-diene-1-carboxamide
CID 123879261
(6S)-2-amino-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-5-fluorophenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
CID 130357359
(4S)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 40698833
N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 118017131
(4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010817
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936
(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388135

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one (CID 123165660) is 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one is CC(C)C1(C)CC(=O)N(Cc2cccc(N3CC(c4cc(Cl)cc(Cl)c4)CC3=O)c2)C(N)=N1.
What is the InChIKey of 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one?
The InChIKey is YNRTUWOZEOMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O2/c1-15(2)25(3)12-23(33)31(24(28)29-25)13-16-5-4-6-21(7-16)30-14-18(10-22(30)32)17-8-19(26)11-20(27)9-17/h4-9,11,15,18H,10,12-14H2,1-3H3,(H2,28,29).
What are the key properties of 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one?
2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one has a molecular weight of 487.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[4-(3,5-dichlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 123165660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).