2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H36N6O2 — CID 166981598

IUPAC2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C45CC([C@H]4C)[C@H]5C)c3n2)ccc1OCCN(C)C
InChIInChI=1S/C27H36N6O2/c1-16-12-20(8-9-23(16)35-11-10-31(4)5)29-26-28-15-19-13-22(25(34)32(6)7)33(24(19)30-26)27-14-21(17(27)2)18(27)3/h8-9,12-13,15,17-18,21H,10-11,14H2,1-7H3,(H,28,29,30)/t17-,18-,21?,27?/m1/s1
InChIKeyDSIZAXITPAFTDK-DYWKYMEGSA-N
MW476.63 g/mol
LogP4.13
Rot. Bonds8

About 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 166981598) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID166981598
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C45CC([C@H]4C)[C@H]5C)c3n2)ccc1OCCN(C)C
InChIInChI=1S/C27H36N6O2/c1-16-12-20(8-9-23(16)35-11-10-31(4)5)29-26-28-15-19-13-22(25(34)32(6)7)33(24(19)30-26)27-14-21(17(27)2)18(27)3/h8-9,12-13,15,17-18,21H,10-11,14H2,1-7H3,(H,28,29,30)/t17-,18-,21?,27?/m1/s1
InChIKeyDSIZAXITPAFTDK-DYWKYMEGSA-N
XLogP4.13
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 154971078
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 154971142
N-(6-chloro-3-hydroxy-2-methylphenyl)-2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-4-methoxypyrimidine-5-carboxamide
CID 171834772
7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;3-fluoro-4-morpholin-4-ylaniline
CID 163452936
7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methoxy-4-piperazin-1-ylanilino)-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 163721584
6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one
CID 167163110
3-[[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]oxy]propyl 4-methylbenzenesulfonate
CID 176885879
5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 143774970
7-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3-fluoroanilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;7-(1-bicyclo[1.1.1]pentanyl)-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide;tert-butyl 6-(4-amino-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 163594148
6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22220189
[7-(1-bicyclo[1.1.1]pentanyl)-2-(3-methyl-4-piperidin-4-ylanilino)pyrrolo[2,3-d]pyrimidin-6-yl]-(dimethylamino)methanol
CID 166981568

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 166981598) is 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C45CC([C@H]4C)[C@H]5C)c3n2)ccc1OCCN(C)C.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DSIZAXITPAFTDK-DYWKYMEGSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-16-12-20(8-9-23(16)35-11-10-31(4)5)29-26-28-15-19-13-22(25(34)32(6)7)33(24(19)30-26)27-14-21(17(27)2)18(27)3/h8-9,12-13,15,17-18,21H,10-11,14H2,1-7H3,(H,28,29,30)/t17-,18-,21?,27?/m1/s1.
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]-7-[(2R,4R)-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166981598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).