7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine

C57H75N15O — CID 165044263

IUPAC7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine
SMILESC=Cc1ncnc2c1ccn2C(C)(C)C.CC(C)(C)n1ccc2c(C3CC3)ncnc21.CC(C)(C)n1ccc2cncnc21.COc1ncnc2c1ccn2C(C)(C)C.Cc1ncnc2c1ccn2C(C)(C)C
InChIInChI=1S/C13H17N3.C12H15N3.C11H15N3O.C11H15N3.C10H13N3/c1-13(2,3)16-7-6-10-11(9-4-5-9)14-8-15-12(10)16;1-5-10-9-6-7-15(12(2,3)4)11(9)14-8-13-10;1-11(2,3)14-6-5-8-9(14)12-7-13-10(8)15-4;1-8-9-5-6-14(11(2,3)4)10(9)13-7-12-8;1-10(2,3)13-5-4-8-6-11-7-12-9(8)13/h6-9H,4-5H2,1-3H3;5-8H,1H2,2-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3
InChIKeyOQBYWEJFDUXZCY-UHFFFAOYSA-N
MW986.33 g/mol
LogP12.77
Rot. Bonds3

About 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine

7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine (PubChem CID 165044263) has the molecular formula C57H75N15O and a molecular weight of 986.33 g/mol. Its IUPAC name is 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine
PubChem CID165044263
Molecular FormulaC57H75N15O
Molecular Weight986.33 g/mol
Exact Mass985.63
IUPAC Name7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine
SMILESC=Cc1ncnc2c1ccn2C(C)(C)C.CC(C)(C)n1ccc2c(C3CC3)ncnc21.CC(C)(C)n1ccc2cncnc21.COc1ncnc2c1ccn2C(C)(C)C.Cc1ncnc2c1ccn2C(C)(C)C
InChIInChI=1S/C13H17N3.C12H15N3.C11H15N3O.C11H15N3.C10H13N3/c1-13(2,3)16-7-6-10-11(9-4-5-9)14-8-15-12(10)16;1-5-10-9-6-7-15(12(2,3)4)11(9)14-8-13-10;1-11(2,3)14-6-5-8-9(14)12-7-13-10(8)15-4;1-8-9-5-6-14(11(2,3)4)10(9)13-7-12-8;1-10(2,3)13-5-4-8-6-11-7-12-9(8)13/h6-9H,4-5H2,1-3H3;5-8H,1H2,2-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3
InChIKeyOQBYWEJFDUXZCY-UHFFFAOYSA-N
XLogP12.77
TPSA162.78 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds3
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.33
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-(trifluoromethyl)-3,6,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]methyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 178255045
8-[[11-[4-(4-fluorophenyl)piperazin-1-yl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl]methyl]-N-(2-methoxy-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123337100
14-Chloro-10-[2-(5-chloro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-(6-methoxy-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 160191271
7-Benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrrolo[2,3-d]pyrimidine
CID 57389576
7-Benzyl-5,6-dimethyl-4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]pyrrolo[2,3-d]pyrimidine
CID 57389734
7-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 68073171
2-[[2-(3-Methoxy-2-pyridinyl)pyrrolidin-1-yl]methyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethyl]imidazo[1,2-a]pyridine
CID 145424897
7-(4-methoxyphenyl)-3-methyl-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;3-methyl-7-(4-methylphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;3-methyl-7-(6-piperidin-1-ylpyrimidin-4-yl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629414
1-[5-[[7-(4-methoxyphenyl)-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-(6-piperidin-1-ylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970497
2-tert-butyl-6-cyclopropyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-amine;2-tert-butyl-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine;2-tert-butyl-1,6-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-4,6-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-N-ethyl-N-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-4-amine;2-tert-butyl-6-ethyl-4-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-4-methoxy-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-6-methoxy-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-3-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-4-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;2-tert-butyl-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 157391633
7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 157564694
3-Tert-butyl-6-cyclopropyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-6,8-difluoro-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-2,6-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-2,8-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-6-fluoro-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-6-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;3-tert-butyl-7-fluoroimidazo[1,2-a]pyridine;3-tert-butyl-6-fluoro-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-6-methoxy-2-methylimidazo[1,2-a]pyridine;2-tert-butyl-3-methylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;3-tert-butyl-6-methylimidazo[1,2-a]pyridine;3-tert-butyl-7-methylimidazo[1,2-a]pyridine
CID 158699765

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine (CID 165044263) is 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine is C=Cc1ncnc2c1ccn2C(C)(C)C.CC(C)(C)n1ccc2c(C3CC3)ncnc21.CC(C)(C)n1ccc2cncnc21.COc1ncnc2c1ccn2C(C)(C)C.Cc1ncnc2c1ccn2C(C)(C)C.
What is the InChIKey of 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OQBYWEJFDUXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C12H15N3.C11H15N3O.C11H15N3.C10H13N3/c1-13(2,3)16-7-6-10-11(9-4-5-9)14-8-15-12(10)16;1-5-10-9-6-7-15(12(2,3)4)11(9)14-8-13-10;1-11(2,3)14-6-5-8-9(14)12-7-13-10(8)15-4;1-8-9-5-6-14(11(2,3)4)10(9)13-7-12-8;1-10(2,3)13-5-4-8-6-11-7-12-9(8)13/h6-9H,4-5H2,1-3H3;5-8H,1H2,2-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3.
What are the key properties of 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine?
7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine has a molecular weight of 986.33 g/mol, XLogP of 12.77, 3 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-cyclopropylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-ethenylpyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;7-tert-butylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 165044263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).