2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide

C26H30ClN3O3 — CID 137426068

IUPAC2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESCCCCCc1nc(-c2ccc(Cl)cc2)cc(=O)n1CC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C26H30ClN3O3/c1-2-3-5-10-24-29-23(20-11-13-21(27)14-12-20)16-26(33)30(24)17-25(32)28-22(18-31)15-19-8-6-4-7-9-19/h4,6-9,11-14,16,22,31H,2-3,5,10,15,17-18H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyPZENGHBXHGAWFA-JOCHJYFZSA-N
MW468.00 g/mol
LogP4.02
Rot. Bonds11

About 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide

2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide (PubChem CID 137426068) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
PubChem CID137426068
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESCCCCCc1nc(-c2ccc(Cl)cc2)cc(=O)n1CC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C26H30ClN3O3/c1-2-3-5-10-24-29-23(20-11-13-21(27)14-12-20)16-26(33)30(24)17-25(32)28-22(18-31)15-19-8-6-4-7-9-19/h4,6-9,11-14,16,22,31H,2-3,5,10,15,17-18H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyPZENGHBXHGAWFA-JOCHJYFZSA-N
XLogP4.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]acetyl]amino]-2-methylpropanoate
CID 137426243
6-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-5-oxohexanamide
CID 158117873
6-(4-chlorophenyl)-3-[5-(dimethylamino)-2-oxopentyl]-2-pentylpyrimidin-4-one
CID 157437574
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
N-(1-aminocyclopropyl)-2-[4-(4-chlorophenyl)-6-oxo-2-(4,4,4-trifluorobutyl)pyrimidin-1-yl]acetamide
CID 145024850
2-[4-(2-acetamido-4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]acetic acid;N-[5-chloro-2-[6-oxo-1-(2-oxopropyl)-2-pentylpyrimidin-4-yl]phenyl]acetamide
CID 162004108
3-[[4-(4-chlorophenyl)-6-oxo-2-(4,4,4-trifluorobutyl)pyrimidin-1-yl]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 129198089
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545
2-[4-(4-chlorophenyl)-6-oxo-2-(4,4,4-trifluorobutyl)pyrimidin-1-yl]-N-(2-sulfamoylethyl)acetamide
CID 137426070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide (CID 137426068) is 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide is CCCCCc1nc(-c2ccc(Cl)cc2)cc(=O)n1CC(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is PZENGHBXHGAWFA-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-2-3-5-10-24-29-23(20-11-13-21(27)14-12-20)16-26(33)30(24)17-25(32)28-22(18-31)15-19-8-6-4-7-9-19/h4,6-9,11-14,16,22,31H,2-3,5,10,15,17-18H2,1H3,(H,28,32)/t22-/m1/s1.
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 468.00 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxo-2-pentylpyrimidin-1-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 137426068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).