4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

C95H109Cl4N22O9PS5 — CID 159476885

IUPAC4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESC1CCOCC1.CC(=O)c1ccccc1.CCOC(=O)c1c(-c2ccccn2)csc1N.CN(C)C1CCC(Nc2ncnc3scc(-c4ccccn4)c23)CC1.Clc1ncnc2scc(-c3ccccn3)c12.NC1CCC(N)CC1.NC1CCC(Nc2ncnc3scc(-c4ccccn4)c23)CC1.NC=O.O=P(Cl)(Cl)Cl.O=c1[nH]cnc2scc(-c3ccccn3)c12.[C-]#[N+]CC(=O)OCC
InChIInChI=1S/C19H23N5S.C17H19N5S.C12H12N2O2S.C11H6ClN3S.C11H7N3OS.C8H8O.C6H14N2.C5H7NO2.C5H10O.CH3NO.Cl3OP/c1-24(2)14-8-6-13(7-9-14)23-18-17-15(16-5-3-4-10-20-16)11-25-19(17)22-12-21-18;18-11-4-6-12(7-5-11)22-16-15-13(14-3-1-2-8-19-14)9-23-17(15)21-10-20-16;1-2-16-12(15)10-8(7-17-11(10)13)9-5-3-4-6-14-9;12-10-9-7(8-3-1-2-4-13-8)5-16-11(9)15-6-14-10;15-10-9-7(8-3-1-2-4-12-8)5-16-11(9)14-6-13-10;1-7(9)8-5-3-2-4-6-8;7-5-1-2-6(8)4-3-5;1-3-8-5(7)4-6-2;1-2-4-6-5-3-1;2-1-3;1-5(2,3)4/h3-5,10-14H,6-9H2,1-2H3,(H,21,22,23);1-3,8-12H,4-7,18H2,(H,20,21,22);3-7H,2,13H2,1H3;1-6H;1-6H,(H,13,14,15);2-6H,1H3;5-6H,1-4,7-8H2;3-4H2,1H3;1-5H2;1H,(H2,2,3);
InChIKeyLWMKPYYXGDQRRZ-UHFFFAOYSA-N
MW2036.18 g/mol
LogP21.17
Rot. Bonds15

About 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine

4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 159476885) has the molecular formula C95H109Cl4N22O9PS5 and a molecular weight of 2036.18 g/mol. Its IUPAC name is 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID159476885
Molecular FormulaC95H109Cl4N22O9PS5
Molecular Weight2036.18 g/mol
Exact Mass2032.58
IUPAC Name4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESC1CCOCC1.CC(=O)c1ccccc1.CCOC(=O)c1c(-c2ccccn2)csc1N.CN(C)C1CCC(Nc2ncnc3scc(-c4ccccn4)c23)CC1.Clc1ncnc2scc(-c3ccccn3)c12.NC1CCC(N)CC1.NC1CCC(Nc2ncnc3scc(-c4ccccn4)c23)CC1.NC=O.O=P(Cl)(Cl)Cl.O=c1[nH]cnc2scc(-c3ccccn3)c12.[C-]#[N+]CC(=O)OCC
InChIInChI=1S/C19H23N5S.C17H19N5S.C12H12N2O2S.C11H6ClN3S.C11H7N3OS.C8H8O.C6H14N2.C5H7NO2.C5H10O.CH3NO.Cl3OP/c1-24(2)14-8-6-13(7-9-14)23-18-17-15(16-5-3-4-10-20-16)11-25-19(17)22-12-21-18;18-11-4-6-12(7-5-11)22-16-15-13(14-3-1-2-8-19-14)9-23-17(15)21-10-20-16;1-2-16-12(15)10-8(7-17-11(10)13)9-5-3-4-6-14-9;12-10-9-7(8-3-1-2-4-13-8)5-16-11(9)15-6-14-10;15-10-9-7(8-3-1-2-4-12-8)5-16-11(9)14-6-13-10;1-7(9)8-5-3-2-4-6-8;7-5-1-2-6(8)4-3-5;1-3-8-5(7)4-6-2;1-2-4-6-5-3-1;2-1-3;1-5(2,3)4/h3-5,10-14H,6-9H2,1-2H3,(H,21,22,23);1-3,8-12H,4-7,18H2,(H,20,21,22);3-7H,2,13H2,1H3;1-6H;1-6H,(H,13,14,15);2-6H,1H3;5-6H,1-4,7-8H2;3-4H2,1H3;1-5H2;1H,(H2,2,3);
InChIKeyLWMKPYYXGDQRRZ-UHFFFAOYSA-N
XLogP21.17
TPSA462.34 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.18
LogP ≤ 521.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine (CID 159476885) is 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is C1CCOCC1.CC(=O)c1ccccc1.CCOC(=O)c1c(-c2ccccn2)csc1N.CN(C)C1CCC(Nc2ncnc3scc(-c4ccccn4)c23)CC1.Clc1ncnc2scc(-c3ccccn3)c12.NC1CCC(N)CC1.NC1CCC(Nc2ncnc3scc(-c4ccccn4)c23)CC1.NC=O.O=P(Cl)(Cl)Cl.O=c1[nH]cnc2scc(-c3ccccn3)c12.[C-]#[N+]CC(=O)OCC.
What is the InChIKey of 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is LWMKPYYXGDQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S.C17H19N5S.C12H12N2O2S.C11H6ClN3S.C11H7N3OS.C8H8O.C6H14N2.C5H7NO2.C5H10O.CH3NO.Cl3OP/c1-24(2)14-8-6-13(7-9-14)23-18-17-15(16-5-3-4-10-20-16)11-25-19(17)22-12-21-18;18-11-4-6-12(7-5-11)22-16-15-13(14-3-1-2-8-19-14)9-23-17(15)21-10-20-16;1-2-16-12(15)10-8(7-17-11(10)13)9-5-3-4-6-14-9;12-10-9-7(8-3-1-2-4-13-8)5-16-11(9)15-6-14-10;15-10-9-7(8-3-1-2-4-12-8)5-16-11(9)14-6-13-10;1-7(9)8-5-3-2-4-6-8;7-5-1-2-6(8)4-3-5;1-3-8-5(7)4-6-2;1-2-4-6-5-3-1;2-1-3;1-5(2,3)4/h3-5,10-14H,6-9H2,1-2H3,(H,21,22,23);1-3,8-12H,4-7,18H2,(H,20,21,22);3-7H,2,13H2,1H3;1-6H;1-6H,(H,13,14,15);2-6H,1H3;5-6H,1-4,7-8H2;3-4H2,1H3;1-5H2;1H,(H2,2,3);.
What are the key properties of 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine?
4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 2036.18 g/mol, XLogP of 21.17, 15 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pyridin-2-ylthieno[2,3-d]pyrimidine;cyclohexane-1,4-diamine;4-N,4-N-dimethyl-1-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;ethyl 2-amino-4-pyridin-2-ylthiophene-3-carboxylate;ethyl 2-isocyanoacetate;formamide;oxane;1-phenylethanone;phosphoryl trichloride;5-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one;4-N-(5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 159476885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).