7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C17H24N4O2S — CID 154971078

IUPAC7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCC1(n2c(C(=O)N(C)C)cc3cnc(S(C)=O)nc32)CC[C@H]1C
InChIInChI=1S/C17H24N4O2S/c1-6-17(8-7-11(17)2)21-13(15(22)20(3)4)9-12-10-18-16(24(5)23)19-14(12)21/h9-11H,6-8H2,1-5H3/t11-,17?,24?/m1/s1
InChIKeyBDNUAOAEVRVCMO-VJPGKXLJSA-N
MW348.47 g/mol
LogP2.41
Rot. Bonds4

About 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 154971078) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID154971078
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCCC1(n2c(C(=O)N(C)C)cc3cnc(S(C)=O)nc32)CC[C@H]1C
InChIInChI=1S/C17H24N4O2S/c1-6-17(8-7-11(17)2)21-13(15(22)20(3)4)9-12-10-18-16(24(5)23)19-14(12)21/h9-11H,6-8H2,1-5H3/t11-,17?,24?/m1/s1
InChIKeyBDNUAOAEVRVCMO-VJPGKXLJSA-N
XLogP2.41
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

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
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
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
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
CID 11439492
7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 166113090
2-(3-fluoro-4-morpholin-4-ylanilino)-N,N-dimethyl-7-(1-propan-2-ylcyclobutyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 154971142
8-cyclopentyl-6-(methoxymethyl)-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11151391
2-[[5-[4-(1-azaspiro[3.3]heptan-6-ylmethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;ethane
CID 178005644
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
7-cyclopentyl-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44819647
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 154971078) is 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CCC1(n2c(C(=O)N(C)C)cc3cnc(S(C)=O)nc32)CC[C@H]1C.
What is the InChIKey of 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BDNUAOAEVRVCMO-VJPGKXLJSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-6-17(8-7-11(17)2)21-13(15(22)20(3)4)9-12-10-18-16(24(5)23)19-14(12)21/h9-11H,6-8H2,1-5H3/t11-,17?,24?/m1/s1.
What are the key properties of 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-ethyl-2-methylcyclobutyl]-N,N-dimethyl-2-methylsulfinylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 154971078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).