tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane

C88H120N21O8Si2- — CID 157329777

About tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane

tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (PubChem CID 157329777) has the molecular formula C88H120N21O8Si2- and a molecular weight of 1657.25 g/mol. Its IUPAC name is tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
• PubChem CID: 157329777
• Molecular Formula: C88H120N21O8Si2-
• Molecular Weight: 1657.25 g/mol
• Exact Mass: 1655.92
• IUPAC Name: tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
• SMILES: CCOC(OCC)n1ccc2c(C)ncnc21.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1ccn2C(=O)OC(C)(C)C.Cc1ncnc2c1ccn2COC(=O)C(C)(C)C.Cc1ncnc2c1ccn2COCC[Si](C)(C)C.Cc1ncnc2c1ccn2COCc1ccccc1.Cc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.[2H-]
• InChI: InChI=1S/C16H27N3Si.C15H15N3O.C13H17N3O2.C13H21N3OSi.C12H15N3O2.C12H17N3O2.C7H7N3.H/c1-11(2)20(12(3)4,13(5)6)19-9-8-15-14(7)17-10-18-16(15)19;1-12-14-7-8-18(15(14)17-10-16-12)11-19-9-13-5-3-2-4-6-13;1-9-10-5-6-16(11(10)15-7-14-9)8-18-12(17)13(2,3)4;1-11-12-5-6-16(13(12)15-9-14-11)10-17-7-8-18(2,3)4;1-8-9-5-6-15(10(9)14-7-13-8)11(16)17-12(2,3)4;1-4-16-12(17-5-2)15-7-6-10-9(3)13-8-14-11(10)15;1-5-6-2-3-8-7(6)10-4-9-5;/h8-13H,1-7H3;2-8,10H,9,11H2,1H3;5-7H,8H2,1-4H3;5-6,9H,7-8,10H2,1-4H3;5-7H,1-4H3;6-8,12H,4-5H2,1-3H3;2-4H,1H3,(H,8,9,10);/q;;;;;;;-1/i;;;;;;;1+1
• InChIKey: BFDOWCTZPYNTMO-MXGYIUITSA-N
• XLogP: 19.19
• TPSA: 315.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1657.25
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The IUPAC name of tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane (CID 157329777) is tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane.

What is the SMILES notation for tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The canonical SMILES for tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is CCOC(OCC)n1ccc2c(C)ncnc21.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1ccn2C(=O)OC(C)(C)C.Cc1ncnc2c1ccn2COC(=O)C(C)(C)C.Cc1ncnc2c1ccn2COCC[Si](C)(C)C.Cc1ncnc2c1ccn2COCc1ccccc1.Cc1ncnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.[2H-].

What is the InChIKey of tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

The InChIKey is BFDOWCTZPYNTMO-MXGYIUITSA-N. The full InChI is InChI=1S/C16H27N3Si.C15H15N3O.C13H17N3O2.C13H21N3OSi.C12H15N3O2.C12H17N3O2.C7H7N3.H/c1-11(2)20(12(3)4,13(5)6)19-9-8-15-14(7)17-10-18-16(15)19;1-12-14-7-8-18(15(14)17-10-16-12)11-19-9-13-5-3-2-4-6-13;1-9-10-5-6-16(11(10)15-7-14-9)8-18-12(17)13(2,3)4;1-11-12-5-6-16(13(12)15-9-14-11)10-17-7-8-18(2,3)4;1-8-9-5-6-15(10(9)14-7-13-8)11(16)17-12(2,3)4;1-4-16-12(17-5-2)15-7-6-10-9(3)13-8-14-11(10)15;1-5-6-2-3-8-7(6)10-4-9-5;/h8-13H,1-7H3;2-8,10H,9,11H2,1H3;5-7H,8H2,1-4H3;5-6,9H,7-8,10H2,1-4H3;5-7H,1-4H3;6-8,12H,4-5H2,1-3H3;2-4H,1H3,(H,8,9,10);/q;;;;;;;-1/i;;;;;;;1+1.

What are the key properties of tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane?

tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane has a molecular weight of 1657.25 g/mol, XLogP of 19.19, 20 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate;deuteride;7-(diethoxymethyl)-4-methylpyrrolo[2,3-d]pyrimidine;4-methyl-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate;(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane is sourced from PubChem (CID 157329777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).