2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine

C104H146ClN13O10 — CID 159407649

IUPAC2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine
SMILESCC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1ccc(NC(=O)N(C)C)cc1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(Cl)c1.CNC(=O)Nc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO.2C14H18N2O2.C14H21NO.C13H16N2O2.C13H20N2O.C12H18N2O.C9H12ClN/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-10(2)9-11-5-7-12(8-6-11)14-13(16)15(3)4;1-9(2)8-10-4-6-11(7-5-10)14-12(15)13-3;1-7(2)5-8-3-4-11-9(10)6-8/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);5-8,10H,9H2,1-4H3,(H,14,16);4-7,9H,8H2,1-3H3,(H2,13,14,15);3-4,6-7H,5H2,1-2H3
InChIKeyLODZALFMWDYRKT-UHFFFAOYSA-N
MW1773.85 g/mol
LogP19.50
Rot. Bonds25

About 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine

2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine (PubChem CID 159407649) has the molecular formula C104H146ClN13O10 and a molecular weight of 1773.85 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine
PubChem CID159407649
Molecular FormulaC104H146ClN13O10
Molecular Weight1773.85 g/mol
Exact Mass1772.10
IUPAC Name2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine
SMILESCC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1ccc(NC(=O)N(C)C)cc1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(Cl)c1.CNC(=O)Nc1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO.2C14H18N2O2.C14H21NO.C13H16N2O2.C13H20N2O.C12H18N2O.C9H12ClN/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-10(2)9-11-5-7-12(8-6-11)14-13(16)15(3)4;1-9(2)8-10-4-6-11(7-5-10)14-12(15)13-3;1-7(2)5-8-3-4-11-9(10)6-8/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);5-8,10H,9H2,1-4H3,(H,14,16);4-7,9H,8H2,1-3H3,(H2,13,14,15);3-4,6-7H,5H2,1-2H3
InChIKeyLODZALFMWDYRKT-UHFFFAOYSA-N
XLogP19.50
TPSA277.11 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.85
LogP ≤ 519.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[D-4Aph(CO-NH-(C2H4O)2-C2H5)6]degarelix
CID 16156573
[4Aph(CO-NH-(C2H4O)2-C2H5)5]degarelix
CID 16202050
[L or LAgl (formyl)4]acyline
CID 44348056
[D or LAgl (Me,formyl)4]acyline
CID 44348057
[D or LAgl (formyl)4]acyline
CID 44348148
[L or DAgl (hydroxyacetic acid)4]acyline
CID 44348306
[D or LAgl (hydroxyacetic acid)4]acyline
CID 44348326
Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Phe(4-R-dihydroorotamido)-D-Phe(4-R-dihydroorotamido)-Leu-Lys(iPr)-Pro-D-Ala-NH2
CID 44361468
Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Phe(4-R-dihydroorotamido)-D-Phe(4-S-dihydroorotamido)-Leu-Lys(iPr)-Pro-D-Ala-NH2
CID 44361888
(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[4-[2-(2-ethoxyethoxy)ethylcarbamoylamino]phenyl]propanoyl]amino]-3-[4-[2-(2-ethoxyethoxy)ethylcarbamoylamino]phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 16155294
(4S)-N-[4-[(2S)-3-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-[2-(2-ethoxyethoxy)ethylcarbamoylamino]phenyl]-1-oxopropan-2-yl]amino]-2-[[(2S)-2-[[(2R)-2-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-2-[2-(2-ethoxyethoxy)ethylcarbamoylamino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-oxopropyl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 16155412
(2S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2R)-3-[4-(carbamoylamino)phenyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-2-[2-(2-ethoxyethoxy)ethylcarbamoylamino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[4-[2-(2-ethoxyethoxy)ethylcarbamoylamino]phenyl]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]pyrrolidine-2-carboxamide
CID 16156643

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine?
The IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine (CID 159407649) is 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine.
What is the SMILES notation for 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine?
The canonical SMILES for 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine is CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1ccc(NC(=O)N(C)C)cc1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccnc(Cl)c1.CNC(=O)Nc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine?
The InChIKey is LODZALFMWDYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.2C14H18N2O2.C14H21NO.C13H16N2O2.C13H20N2O.C12H18N2O.C9H12ClN/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-10(2)9-11-5-7-12(8-6-11)14-13(16)15(3)4;1-9(2)8-10-4-6-11(7-5-10)14-12(15)13-3;1-7(2)5-8-3-4-11-9(10)6-8/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);5-8,10H,9H2,1-4H3,(H,14,16);4-7,9H,8H2,1-3H3,(H2,13,14,15);3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine?
2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine has a molecular weight of 1773.85 g/mol, XLogP of 19.50, 25 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropyl)pyridine;1,1-dimethyl-3-[4-(2-methylpropyl)phenyl]urea;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;1-methyl-3-[4-(2-methylpropyl)phenyl]urea;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine is sourced from PubChem (CID 159407649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).