5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane

C64H77BBr2F3N15O2 — CID 157208049

IUPAC5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane
SMILESC.Cc1ccc(Br)cn1.N#Cc1ccc(Nc2ncc(-c3cccc(F)c3)c(NCC3CCCCC3)n2)cn1.Nc1ncc(-c2cccc(F)c2)c(NCC2CCCCC2)n1.Nc1ncc(Br)c(NCC2CCCCC2)n1.OB(O)c1cccc(F)c1
InChIInChI=1S/C23H23FN6.C17H21FN4.C11H17BrN4.C6H6BFO2.C6H6BrN.CH4/c24-18-8-4-7-17(11-18)21-15-28-23(29-20-10-9-19(12-25)26-14-20)30-22(21)27-13-16-5-2-1-3-6-16;18-14-8-4-7-13(9-14)15-11-21-17(19)22-16(15)20-10-12-5-2-1-3-6-12;12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8;8-6-3-1-2-5(4-6)7(9)10;1-5-2-3-6(7)4-8-5;/h4,7-11,14-16H,1-3,5-6,13H2,(H2,27,28,29,30);4,7-9,11-12H,1-3,5-6,10H2,(H3,19,20,21,22);7-8H,1-6H2,(H3,13,14,15,16);1-4,9-10H;2-4H,1H3;1H4
InChIKeyAROMNYJHZOTHDP-UHFFFAOYSA-N
MW1316.04 g/mol
LogP14.25
Rot. Bonds14

About 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane

5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane (PubChem CID 157208049) has the molecular formula C64H77BBr2F3N15O2 and a molecular weight of 1316.04 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane.

Molecular Properties

Compound Name5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane
PubChem CID157208049
Molecular FormulaC64H77BBr2F3N15O2
Molecular Weight1316.04 g/mol
Exact Mass1313.48
IUPAC Name5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane
SMILESC.Cc1ccc(Br)cn1.N#Cc1ccc(Nc2ncc(-c3cccc(F)c3)c(NCC3CCCCC3)n2)cn1.Nc1ncc(-c2cccc(F)c2)c(NCC2CCCCC2)n1.Nc1ncc(Br)c(NCC2CCCCC2)n1.OB(O)c1cccc(F)c1
InChIInChI=1S/C23H23FN6.C17H21FN4.C11H17BrN4.C6H6BFO2.C6H6BrN.CH4/c24-18-8-4-7-17(11-18)21-15-28-23(29-20-10-9-19(12-25)26-14-20)30-22(21)27-13-16-5-2-1-3-6-16;18-14-8-4-7-13(9-14)15-11-21-17(19)22-16(15)20-10-12-5-2-1-3-6-12;12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8;8-6-3-1-2-5(4-6)7(9)10;1-5-2-3-6(7)4-8-5;/h4,7-11,14-16H,1-3,5-6,13H2,(H2,27,28,29,30);4,7-9,11-12H,1-3,5-6,10H2,(H3,19,20,21,22);7-8H,1-6H2,(H3,13,14,15,16);1-4,9-10H;2-4H,1H3;1H4
InChIKeyAROMNYJHZOTHDP-UHFFFAOYSA-N
XLogP14.25
TPSA267.53 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001316.04
LogP ≤ 514.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane 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

N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 67507642
Cumene;bis(1-fluoro-2-propan-2-ylbenzene);2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-isocyano-2-propan-2-ylpyridine;tris(1-methyl-2-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);tetrakis(2-methyl-5-propan-2-ylpyrimidine);2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157248610
4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
CID 157281382
4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]boronic acid
CID 157293308
2-(4-bromophenyl)-6-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine;2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 157451665
4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 157466149
N-(3-bromophenyl)-6-(3-fluoropropyl)pyrido[3,4-d]pyrimidin-4-amine;N-(3-bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine;molecular hydrogen
CID 157466723
CID 157681144
CID 157681144
5-[4-(3-Bromophenyl)piperazin-1-yl]pyrimidine-2,4-diamine;(2-methylpyrimidin-5-yl)boronic acid;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 157742238
6-[2-[(2-Chloroquinazolin-4-yl)amino]ethylamino]pyridine-3-carbonitrile;(2-fluorophenyl)boronic acid;6-[2-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 158227966
N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;(4-cyanophenyl)boronic acid;4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]benzonitrile
CID 158329284
4-Bromo-2,7-naphthyridine;5-bromo-2-oxido-2,7-naphthyridin-2-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(7-oxido-2,7-naphthyridin-7-ium-4-yl)-1,8-naphthyridine
CID 158608696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane?
The IUPAC name of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane (CID 157208049) is 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane.
What is the SMILES notation for 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane?
The canonical SMILES for 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane is C.Cc1ccc(Br)cn1.N#Cc1ccc(Nc2ncc(-c3cccc(F)c3)c(NCC3CCCCC3)n2)cn1.Nc1ncc(-c2cccc(F)c2)c(NCC2CCCCC2)n1.Nc1ncc(Br)c(NCC2CCCCC2)n1.OB(O)c1cccc(F)c1.
What is the InChIKey of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane?
The InChIKey is AROMNYJHZOTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6.C17H21FN4.C11H17BrN4.C6H6BFO2.C6H6BrN.CH4/c24-18-8-4-7-17(11-18)21-15-28-23(29-20-10-9-19(12-25)26-14-20)30-22(21)27-13-16-5-2-1-3-6-16;18-14-8-4-7-13(9-14)15-11-21-17(19)22-16(15)20-10-12-5-2-1-3-6-12;12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8;8-6-3-1-2-5(4-6)7(9)10;1-5-2-3-6(7)4-8-5;/h4,7-11,14-16H,1-3,5-6,13H2,(H2,27,28,29,30);4,7-9,11-12H,1-3,5-6,10H2,(H3,19,20,21,22);7-8H,1-6H2,(H3,13,14,15,16);1-4,9-10H;2-4H,1H3;1H4.
What are the key properties of 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane?
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane has a molecular weight of 1316.04 g/mol, XLogP of 14.25, 14 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine;5-bromo-2-methylpyridine;5-[[4-(cyclohexylmethylamino)-5-(3-fluorophenyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile;4-N-(cyclohexylmethyl)-5-(3-fluorophenyl)pyrimidine-2,4-diamine;(3-fluorophenyl)boronic acid;methane is sourced from PubChem (CID 157208049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).