1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane

C142H178N28O11S — CID 158730107

About 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane

1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane (PubChem CID 158730107) has the molecular formula C142H178N28O11S and a molecular weight of 2485.24 g/mol. Its IUPAC name is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane.

Molecular Properties

• Compound Name: 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane
• PubChem CID: 158730107
• Molecular Formula: C142H178N28O11S
• Molecular Weight: 2485.24 g/mol
• Exact Mass: 2483.40
• IUPAC Name: 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane
• SMILES: C.C.C=S(C)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3c2C=CC3)ncn1
• InChI: InChI=1S/2C24H30N6O2.C24H31N3O2S.2C23H27N5O2.C22H25N3O.2CH4/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;1-30(2,29)21-12-10-18(11-13-21)14-23(28)22-15-24(26-17-25-22)27(16-19-8-9-19)20-6-4-3-5-7-20;2*1-3-8-27(14-17-4-5-17)23-11-20(24-15-25-23)22(30)10-18-6-7-21-19(9-18)12-26-28(21)13-16(2)29;1-2-11-25(14-16-9-10-16)22-13-20(23-15-24-22)21(26)12-18-7-3-5-17-6-4-8-19(17)18;;/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;10-13,15,17,19-20H,1,3-9,14,16H2,2H3;2*6-7,9,11-12,15,17H,3-5,8,10,13-14H2,1-2H3;3-5,7-8,13,15-16H,2,6,9-12,14H2,1H3;2*1H4
• InChIKey: IKZHKTUVMNXOCO-UHFFFAOYSA-N
• XLogP: 22.39
• TPSA: 439.65 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 56
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.24
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane?

The IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane (CID 158730107) is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane.

What is the SMILES notation for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane?

The canonical SMILES for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane is C.C.C=S(C)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(C)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3c2C=CC3)ncn1.

What is the InChIKey of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane?

The InChIKey is IKZHKTUVMNXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O2.C24H31N3O2S.2C23H27N5O2.C22H25N3O.2CH4/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;1-30(2,29)21-12-10-18(11-13-21)14-23(28)22-15-24(26-17-25-22)27(16-19-8-9-19)20-6-4-3-5-7-20;2*1-3-8-27(14-17-4-5-17)23-11-20(24-15-25-23)22(30)10-18-6-7-21-19(9-18)12-26-28(21)13-16(2)29;1-2-11-25(14-16-9-10-16)22-13-20(23-15-24-22)21(26)12-18-7-3-5-17-6-4-8-19(17)18;;/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;10-13,15,17,19-20H,1,3-9,14,16H2,2H3;2*6-7,9,11-12,15,17H,3-5,8,10,13-14H2,1-2H3;3-5,7-8,13,15-16H,2,6,9-12,14H2,1H3;2*1H4.

What are the key properties of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane?

1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane has a molecular weight of 2485.24 g/mol, XLogP of 22.39, 56 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide;bis(1-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]propan-2-one);methane is sourced from PubChem (CID 158730107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).